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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Hydroxybenzoic Acid Derivatives (44,072)
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3,781 – 3,795 of 119,396 results
3,781
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4-Nitrobenzenesulfonic acid hydrate, 98%

CAS: 138-42-1 Molecular Formula: C6H5NO5S Molecular Weight (g/mol): 203.17 MDL Number: MFCD09037353 InChI Key: SPXOTSHWBDUUMT-UHFFFAOYSA-N Synonym: 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi PubChem CID: 8740 IUPAC Name: 4-nitrobenzene-1-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 8740
CAS 138-42-1
Molecular Weight (g/mol) 203.17
MDL Number MFCD09037353
SMILES OS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
Synonym 4-nitrobenzenesulfonic acid,benzenesulfonic acid, 4-nitro,p-nitrobenzenesulfonic acid,4-nitrobenzenesulfonate,p-nitrophenylsulfonic acid,4-nitrobenzenesulphonic acid,4-nitro-benzenesulfonic acid,benzenesulfonic acid, p-nitro,ccris 3132,acmc-1bvgi
IUPAC Name 4-nitrobenzene-1-sulfonic acid
InChI Key SPXOTSHWBDUUMT-UHFFFAOYSA-N
Molecular Formula C6H5NO5S
3,782
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Ethyl O-(2-mesitylenesulfonyl)acetohydroxamate, 98+%

CAS: 38202-27-6 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.358 MDL Number: MFCD00009244 InChI Key: KQCBSWBQAXTILK-WYMLVPIESA-N Synonym: ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate PubChem CID: 6282444 IUPAC Name: ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate SMILES: CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C

PubChem CID 6282444
CAS 38202-27-6
Molecular Weight (g/mol) 285.358
MDL Number MFCD00009244
SMILES CCOC(=NOS(=O)(=O)C1=C(C=C(C=C1C)C)C)C
Synonym ethyl o-mesitylsulfonylacetohydroxamate,ethyl n-mesitylsulfonyl oxyacetimidate,ethyl o-methylsulphonylacetohydroxamate,ethyl o-2-mesitylenesulfonyl acethydroxamate,o-mesitylsulfonylacetohydroxamic acid ethyl ester,ethyl 1z-n-mesitylsulfonyl oxy ethanimidoate,ethyl 1e-n-2,4,6-trimethylphenyl sulfonyloxyethanimidate,kqcbswbqaxtilk-owbhpgmisa-n,z-ethyl n-mesitylsulfonyloxyacetimidate,z-ethyl n-mesitylsulfonyl oxyacetimidate
IUPAC Name ethyl (1E)-N-(2,4,6-trimethylphenyl)sulfonyloxyethanimidate
InChI Key KQCBSWBQAXTILK-WYMLVPIESA-N
Molecular Formula C13H19NO4S
3,784

p-Toluenesulfonic anhydride, 95%

CAS: 4124-41-8 Molecular Formula: C14H14O5S2 Molecular Weight (g/mol): 326.39 MDL Number: MFCD00008548 InChI Key: PDVFSPNIEOYOQL-UHFFFAOYSA-N Synonym: p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride PubChem CID: 77773 IUPAC Name: (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C

PubChem CID 77773
CAS 4124-41-8
Molecular Weight (g/mol) 326.39
MDL Number MFCD00008548
SMILES CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C
Synonym p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride
IUPAC Name (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate
InChI Key PDVFSPNIEOYOQL-UHFFFAOYSA-N
Molecular Formula C14H14O5S2
3,785
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5-Sulfosalicylic Acid, Dihydrate, Crystal, ACS, 99.0-101.0%, Spectrum™ Chemical

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; bis(methane) SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

CAS 5965-83-3
Molecular Weight (g/mol) 250.27
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
IUPAC Name 2-hydroxy-5-sulfobenzoic acid; bis(methane)
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
3,786
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4-Sulfobenzoic acid monopotassium salt, 95%

CAS: 5399-63-3 Molecular Formula: C7H5KO5S Molecular Weight (g/mol): 240.27 MDL Number: MFCD00007509 InChI Key: PXRJBUPXKDXDLG-UHFFFAOYSA-M Synonym: benzoic acid, 4-sulfo-, monopotassium salt,4-sulfobenzoic acid monopotassium salt,4-sulphobenzoic acid monopotassium salt,4-sulfobenzoicacidmonopotassiumsalt,potassium hydrogen 4-sulphonatobenzoate,p-sulphobenzoic acid, monopotassium salt,potassium 4-sulphobenzoate,benzoic acid, 4-sulfo-, potassium salt 1:1,potassium 4-sulfobenzoate,p-potassiooxysulfonyl benzoic acid PubChem CID: 23670833 IUPAC Name: potassium;4-sulfobenzoate SMILES: C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)O.[K+]

PubChem CID 23670833
CAS 5399-63-3
Molecular Weight (g/mol) 240.27
MDL Number MFCD00007509
SMILES C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)O.[K+]
Synonym benzoic acid, 4-sulfo-, monopotassium salt,4-sulfobenzoic acid monopotassium salt,4-sulphobenzoic acid monopotassium salt,4-sulfobenzoicacidmonopotassiumsalt,potassium hydrogen 4-sulphonatobenzoate,p-sulphobenzoic acid, monopotassium salt,potassium 4-sulphobenzoate,benzoic acid, 4-sulfo-, potassium salt 1:1,potassium 4-sulfobenzoate,p-potassiooxysulfonyl benzoic acid
IUPAC Name potassium;4-sulfobenzoate
InChI Key PXRJBUPXKDXDLG-UHFFFAOYSA-M
Molecular Formula C7H5KO5S
3,787
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5-Sulfosalicylic Acid Dihydrate, 98%

CAS: 5965-83-3 | C9H14O6S | 250.27 g/mol

Molecular Weight (g/mol) 250.27
CAS Min % 97.5
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
PubChem CID 2723734
Percent Purity 98%
Fieser 01,1118
Infrared Spectrum Authentic
Formula Weight 254.22
Melting Point 106.0°C to 110.0°C
CAS Max % 100.0
Color White
Physical Form Crystalline Powder or Crystals
Chemical Name or Material 5-Sulfosalicylic acid dihydrate
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Merck Index 15, 9094
Assay Percent Range 98%
CAS 97-05-2
Health Hazard 3 GHS P Statement
IF SWALLOWED: rinse mouth.
Do NOT induce vomiting.
Wear protective gloves/protective clothing/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if pre
MDL Number MFCD00007508,MFCD00149540
Health Hazard 2 GHS H Statement
Causes severe skin burns and eye damage.
Harmful if swallowed.
Solubility Information Solubility in water: 127g/L (20°C). Other solubilities: soluble in alcohol and ether
Packaging Plastic bottle
Health Hazard 1 GHS Signal Word: Danger
Synonym 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
Beilstein 11, 411
Molecular Formula C9H14O6S
3,788

4-(Morpholinomethyl)benzaldehyde, 97%, Thermo Scientific™

CAS: 82413-63-6 Molecular Formula: C12H15NO2 Molecular Weight (g/mol): 205.257 MDL Number: MFCD05865107 InChI Key: KMAHWHPUXGNVBN-UHFFFAOYSA-N Synonym: 4-morpholinomethyl benzaldehyde,4-morpholin-4-ylmethyl benzaldehyde,4-morpholinomethyl-benzaldehyde,4-4-morpholinylmethyl benzaldehyde,4-morpholin-4-ylmethyl-benzaldehyde,4-4-carboxaldehydebenzyl morpholine,benzaldehyde,4-4-morpholinylmethyl PubChem CID: 2795498 IUPAC Name: 4-(morpholin-4-ylmethyl)benzaldehyde SMILES: C1COCCN1CC2=CC=C(C=C2)C=O

PubChem CID 2795498
CAS 82413-63-6
Molecular Weight (g/mol) 205.257
MDL Number MFCD05865107
SMILES C1COCCN1CC2=CC=C(C=C2)C=O
Synonym 4-morpholinomethyl benzaldehyde,4-morpholin-4-ylmethyl benzaldehyde,4-morpholinomethyl-benzaldehyde,4-4-morpholinylmethyl benzaldehyde,4-morpholin-4-ylmethyl-benzaldehyde,4-4-carboxaldehydebenzyl morpholine,benzaldehyde,4-4-morpholinylmethyl
IUPAC Name 4-(morpholin-4-ylmethyl)benzaldehyde
InChI Key KMAHWHPUXGNVBN-UHFFFAOYSA-N
Molecular Formula C12H15NO2
3,789
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2-(Difluoromethoxy)benzylamine, 97%, Thermo Scientific Chemicals

CAS: 243863-36-7 Molecular Formula: C8H9F2NO Molecular Weight (g/mol): 173.163 MDL Number: MFCD00236229 InChI Key: GGXXUJUQXAOYPK-UHFFFAOYSA-N Synonym: 2-difluoromethoxy benzylamine,2-difluoromethoxy phenyl methanamine,1-2-difluoromethoxy phenyl methanamine,benzenemethanamine, 2-difluoromethoxy,2-difluoromethoxy phenyl methylamine,acmc-20a5tk,2-difluoromethoxy-benzylamine,2-difluoromethoxy benzyl amine PubChem CID: 1514062 IUPAC Name: [2-(difluoromethoxy)phenyl]methanamine SMILES: C1=CC=C(C(=C1)CN)OC(F)F

PubChem CID 1514062
CAS 243863-36-7
Molecular Weight (g/mol) 173.163
MDL Number MFCD00236229
SMILES C1=CC=C(C(=C1)CN)OC(F)F
Synonym 2-difluoromethoxy benzylamine,2-difluoromethoxy phenyl methanamine,1-2-difluoromethoxy phenyl methanamine,benzenemethanamine, 2-difluoromethoxy,2-difluoromethoxy phenyl methylamine,acmc-20a5tk,2-difluoromethoxy-benzylamine,2-difluoromethoxy benzyl amine
IUPAC Name [2-(difluoromethoxy)phenyl]methanamine
InChI Key GGXXUJUQXAOYPK-UHFFFAOYSA-N
Molecular Formula C8H9F2NO
3,790
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2-Methoxybenzylamine, 98+%

CAS: 6850-57-3 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00008110 InChI Key: PXJACNDVRNAFHD-UHFFFAOYSA-N Synonym: 2-methoxybenzylamine,2-methoxyphenyl methanamine,o-methoxybenzylamine,benzenemethanamine, 2-methoxy,2-methoxy-benzylamine,2-methoxyphenyl methylamine,1-2-methoxyphenyl methanamine,2-methyoxybenzylamine,2-methoxy benzylamine,2-methoxybenzyl amine PubChem CID: 81292 IUPAC Name: (2-methoxyphenyl)methanamine SMILES: COC1=CC=CC=C1CN

PubChem CID 81292
CAS 6850-57-3
Molecular Weight (g/mol) 137.182
MDL Number MFCD00008110
SMILES COC1=CC=CC=C1CN
Synonym 2-methoxybenzylamine,2-methoxyphenyl methanamine,o-methoxybenzylamine,benzenemethanamine, 2-methoxy,2-methoxy-benzylamine,2-methoxyphenyl methylamine,1-2-methoxyphenyl methanamine,2-methyoxybenzylamine,2-methoxy benzylamine,2-methoxybenzyl amine
IUPAC Name (2-methoxyphenyl)methanamine
InChI Key PXJACNDVRNAFHD-UHFFFAOYSA-N
Molecular Formula C8H11NO
3,791

N-Methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzylamine, 95%, Thermo Scientific™

CAS: 944450-83-3 Molecular Formula: C11H13N3O Molecular Weight (g/mol): 203.245 MDL Number: MFCD11109326 InChI Key: PBJZWGQLXKZEJT-UHFFFAOYSA-N Synonym: n-methyl-4-5-methyl-1,3,4-oxadiazol-2-yl benzylamine,methyl 4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methyl amine,2-4-methyl aminomethyl phenyl-5-methyl-1,3,4-oxadiazole,methyl 4-5-methyl 1,3,4-oxadiazol-2-yl phenyl methyl amine,n-methyl-1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,n-methyl-1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methylamine PubChem CID: 26343642 IUPAC Name: N-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanamine SMILES: CC1=NN=C(O1)C2=CC=C(C=C2)CNC

PubChem CID 26343642
CAS 944450-83-3
Molecular Weight (g/mol) 203.245
MDL Number MFCD11109326
SMILES CC1=NN=C(O1)C2=CC=C(C=C2)CNC
Synonym n-methyl-4-5-methyl-1,3,4-oxadiazol-2-yl benzylamine,methyl 4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methyl amine,2-4-methyl aminomethyl phenyl-5-methyl-1,3,4-oxadiazole,methyl 4-5-methyl 1,3,4-oxadiazol-2-yl phenyl methyl amine,n-methyl-1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methanamine,n-methyl-1-4-5-methyl-1,3,4-oxadiazol-2-yl phenyl methylamine
IUPAC Name N-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
InChI Key PBJZWGQLXKZEJT-UHFFFAOYSA-N
Molecular Formula C11H13N3O
3,792

N-Methyl-3-(1H-pyrazol-1-ylmethyl)benzylamine, 90%, Thermo Scientific™

CAS: 892502-10-2 Molecular Formula: C12H15N3 Molecular Weight (g/mol): 201.273 MDL Number: MFCD08690303 InChI Key: RXKBCAGRFVIQTK-UHFFFAOYSA-N Synonym: n-methyl-3-1h-pyrazol-1-ylmethyl benzylamine,methyl 3-pyrazol-1-ylmethyl phenyl methyl amine,methyl 3-pyrazolylmethyl phenyl methyl amine,benzenemethanamine,n-methyl-3-1h-pyrazol-1-ylmethyl,1-3-1h-pyrazol-1-yl methyl phenyl-n-methylmethanamine,n-methyl-1-3-1h-pyrazol-1-yl methyl phenyl methanamine PubChem CID: 18525881 IUPAC Name: N-methyl-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine SMILES: CNCC1=CC=CC(=C1)CN2C=CC=N2

PubChem CID 18525881
CAS 892502-10-2
Molecular Weight (g/mol) 201.273
MDL Number MFCD08690303
SMILES CNCC1=CC=CC(=C1)CN2C=CC=N2
Synonym n-methyl-3-1h-pyrazol-1-ylmethyl benzylamine,methyl 3-pyrazol-1-ylmethyl phenyl methyl amine,methyl 3-pyrazolylmethyl phenyl methyl amine,benzenemethanamine,n-methyl-3-1h-pyrazol-1-ylmethyl,1-3-1h-pyrazol-1-yl methyl phenyl-n-methylmethanamine,n-methyl-1-3-1h-pyrazol-1-yl methyl phenyl methanamine
IUPAC Name N-methyl-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
InChI Key RXKBCAGRFVIQTK-UHFFFAOYSA-N
Molecular Formula C12H15N3
3,793
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4-Methoxybenzylamine, 98+%

CAS: 2393-23-9 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00008122 InChI Key: IDPURXSQCKYKIJ-UHFFFAOYSA-N Synonym: 4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine PubChem CID: 75452 ChEBI: CHEBI:49837 IUPAC Name: (4-methoxyphenyl)methanamine SMILES: COC1=CC=C(C=C1)CN

PubChem CID 75452
CAS 2393-23-9
Molecular Weight (g/mol) 137.182
ChEBI CHEBI:49837
MDL Number MFCD00008122
SMILES COC1=CC=C(C=C1)CN
Synonym 4-methoxybenzylamine,4-methoxyphenyl methanamine,benzenemethanamine, 4-methoxy,p-methoxybenzylamine,4-methoxy-benzylamine,anisylamine,benzylamine, p-methoxy,4-methoxybenzyl amine,1-4-methoxyphenyl methanamine,4-methoxyphenyl methylamine
IUPAC Name (4-methoxyphenyl)methanamine
InChI Key IDPURXSQCKYKIJ-UHFFFAOYSA-N
Molecular Formula C8H11NO
3,794

{2-[(4-Methylpiperazin-1-yl)methyl]phenyl}methylamine, 97%, Thermo Scientific™

CAS: 879896-50-1 Molecular Formula: C13H21N3 Molecular Weight (g/mol): 219.332 MDL Number: MFCD06797802 InChI Key: OKGWICVOLZFMPE-UHFFFAOYSA-N Synonym: 2-4-methylpiperazin-1-ylmethyl benzylamine,1-2-4-methylpiperazin-1-yl methyl phenyl methanamine,2-4-methylpiperazin-1-yl methyl phenyl methanamine,2-4-methylpiperazinyl methyl phenyl methylamine,2-4-methyl-1-piperazinyl methyl-benzenemethanamine,2-4-methylpiperazin-1-yl methyl phenyl methylamine,benzenemethanamine,2-4-methyl-1-piperazinyl methyl PubChem CID: 16228064 IUPAC Name: [2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine SMILES: CN1CCN(CC1)CC2=CC=CC=C2CN

PubChem CID 16228064
CAS 879896-50-1
Molecular Weight (g/mol) 219.332
MDL Number MFCD06797802
SMILES CN1CCN(CC1)CC2=CC=CC=C2CN
Synonym 2-4-methylpiperazin-1-ylmethyl benzylamine,1-2-4-methylpiperazin-1-yl methyl phenyl methanamine,2-4-methylpiperazin-1-yl methyl phenyl methanamine,2-4-methylpiperazinyl methyl phenyl methylamine,2-4-methyl-1-piperazinyl methyl-benzenemethanamine,2-4-methylpiperazin-1-yl methyl phenyl methylamine,benzenemethanamine,2-4-methyl-1-piperazinyl methyl
IUPAC Name [2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
InChI Key OKGWICVOLZFMPE-UHFFFAOYSA-N
Molecular Formula C13H21N3
3,795

[4-(Morpholinomethyl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 91271-65-7 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.273 MDL Number: MFCD04974050 InChI Key: MWVQMAWLNHACQK-UHFFFAOYSA-N Synonym: 4-morpholinomethyl phenyl methanol,4-morpholin-4-ylmethyl phenyl methanol,zlchem 1288,n-4-hydroxymethylbenzyl morpholine,4-morpholin-4-ylmethyl-phenyl-methanol,4-morpholin-4-yl methyl phenyl methanol,4-morpholin-4-ylmethyl phenyl methan-1-ol PubChem CID: 2795499 IUPAC Name: [4-(morpholin-4-ylmethyl)phenyl]methanol SMILES: C1COCCN1CC2=CC=C(C=C2)CO

PubChem CID 2795499
CAS 91271-65-7
Molecular Weight (g/mol) 207.273
MDL Number MFCD04974050
SMILES C1COCCN1CC2=CC=C(C=C2)CO
Synonym 4-morpholinomethyl phenyl methanol,4-morpholin-4-ylmethyl phenyl methanol,zlchem 1288,n-4-hydroxymethylbenzyl morpholine,4-morpholin-4-ylmethyl-phenyl-methanol,4-morpholin-4-yl methyl phenyl methanol,4-morpholin-4-ylmethyl phenyl methan-1-ol
IUPAC Name [4-(morpholin-4-ylmethyl)phenyl]methanol
InChI Key MWVQMAWLNHACQK-UHFFFAOYSA-N
Molecular Formula C12H17NO2