Benzene and substituted derivatives
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4-[3-(Dimethylamino)propoxy]benzylamine, 97%, Thermo Scientific™
CAS: 91637-76-2 Molecular Formula: C12H20N2O Molecular Weight (g/mol): 208.305 MDL Number: MFCD07786701 InChI Key: UGICLWAMZSRUPM-UHFFFAOYSA-N Synonym: 4-3-dimethylamino propoxy benzylamine,4-3-dimethylamino propoxy phenyl methanamine,3-4-aminomethyl phenoxy-n,n-dimethylpropan-1-amine,3-4-aminomethyl phenoxy propyl dimethylamine,benzenemethanamine, 4-3-dimethylamino propoxy,benzenemethanamine,4-3-dimethylamino propoxy,3-4-aminomethyl phenoxy-n,n-dimethylprop an-1-amine,1-4-3-dimethylamino propoxy phenyl methanamine PubChem CID: 21465384 IUPAC Name: 3-[4-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine SMILES: CN(C)CCCOC1=CC=C(C=C1)CN
| PubChem CID | 21465384 |
|---|---|
| CAS | 91637-76-2 |
| Molecular Weight (g/mol) | 208.305 |
| MDL Number | MFCD07786701 |
| SMILES | CN(C)CCCOC1=CC=C(C=C1)CN |
| Synonym | 4-3-dimethylamino propoxy benzylamine,4-3-dimethylamino propoxy phenyl methanamine,3-4-aminomethyl phenoxy-n,n-dimethylpropan-1-amine,3-4-aminomethyl phenoxy propyl dimethylamine,benzenemethanamine, 4-3-dimethylamino propoxy,benzenemethanamine,4-3-dimethylamino propoxy,3-4-aminomethyl phenoxy-n,n-dimethylprop an-1-amine,1-4-3-dimethylamino propoxy phenyl methanamine |
| IUPAC Name | 3-[4-(aminomethyl)phenoxy]-N,N-dimethylpropan-1-amine |
| InChI Key | UGICLWAMZSRUPM-UHFFFAOYSA-N |
| Molecular Formula | C12H20N2O |
4-(4-morpholinylmethyl)benzonitrile, 97%, Thermo Scientific™
CAS: 37812-51-4 Molecular Formula: C12H14N2O Molecular Weight (g/mol): 202.26 MDL Number: MFCD00454271 InChI Key: BCZLYNFDOJXWGN-UHFFFAOYSA-N Synonym: 4-morpholinomethyl benzonitrile,4-morpholin-4-ylmethyl benzonitrile,usaf a-3730,p-tolunitrile, alpha-4-morpholinyl,alpha-4-morpholinyl-p-tolunitrile,benzonitrile, 4-4-morpholinylmethyl,4-4-morpholinylmethyl benzonitrile,4-morpholin-4-ylmethyl benzenecarbonitrile,4-morpholin-4-ylmethyl-benzonitrile,benzonitrile,4-4-morpholinylmethyl PubChem CID: 216864 IUPAC Name: 4-(morpholin-4-ylmethyl)benzonitrile SMILES: C1COCCN1CC2=CC=C(C=C2)C#N
| PubChem CID | 216864 |
|---|---|
| CAS | 37812-51-4 |
| Molecular Weight (g/mol) | 202.26 |
| MDL Number | MFCD00454271 |
| SMILES | C1COCCN1CC2=CC=C(C=C2)C#N |
| Synonym | 4-morpholinomethyl benzonitrile,4-morpholin-4-ylmethyl benzonitrile,usaf a-3730,p-tolunitrile, alpha-4-morpholinyl,alpha-4-morpholinyl-p-tolunitrile,benzonitrile, 4-4-morpholinylmethyl,4-4-morpholinylmethyl benzonitrile,4-morpholin-4-ylmethyl benzenecarbonitrile,4-morpholin-4-ylmethyl-benzonitrile,benzonitrile,4-4-morpholinylmethyl |
| IUPAC Name | 4-(morpholin-4-ylmethyl)benzonitrile |
| InChI Key | BCZLYNFDOJXWGN-UHFFFAOYSA-N |
| Molecular Formula | C12H14N2O |
N-Methyl-2-(phenoxymethyl)benzylamine, 97%, Thermo Scientific™
CAS: 892502-17-9 Molecular Formula: C15H17NO Molecular Weight (g/mol): 227.307 MDL Number: MFCD09025894 InChI Key: WFUPXVCKIKJBIM-UHFFFAOYSA-N Synonym: n-methyl-2-phenoxymethyl benzylamine,methyl 2-phenoxymethyl phenyl methyl amine,n-methyl-1-2-phenoxymethyl phenyl methanamine,benzenemethanamine,n-methyl-2-phenoxymethyl PubChem CID: 18525895 IUPAC Name: N-methyl-1-[2-(phenoxymethyl)phenyl]methanamine SMILES: CNCC1=CC=CC=C1COC2=CC=CC=C2
| PubChem CID | 18525895 |
|---|---|
| CAS | 892502-17-9 |
| Molecular Weight (g/mol) | 227.307 |
| MDL Number | MFCD09025894 |
| SMILES | CNCC1=CC=CC=C1COC2=CC=CC=C2 |
| Synonym | n-methyl-2-phenoxymethyl benzylamine,methyl 2-phenoxymethyl phenyl methyl amine,n-methyl-1-2-phenoxymethyl phenyl methanamine,benzenemethanamine,n-methyl-2-phenoxymethyl |
| IUPAC Name | N-methyl-1-[2-(phenoxymethyl)phenyl]methanamine |
| InChI Key | WFUPXVCKIKJBIM-UHFFFAOYSA-N |
| Molecular Formula | C15H17NO |
3-Methylbenzophenone, 98+%
CAS: 643-65-2 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00008535 InChI Key: URBLVRAVOIVZFJ-UHFFFAOYSA-N Synonym: 3-methylbenzophenone,3-methyl-benzophenone,phenyl m-tolyl methanone,benzophenone, 3-methyl,3-methylphenyl-phenylmethanone,methanone, 3-methylphenyl phenyl,3-methylphenyl phenyl ketone,3-benzoyltoluene,m-methylbenzophenone,zlchem 905 PubChem CID: 69511 IUPAC Name: (3-methylphenyl)-phenylmethanone SMILES: CC1=CC=CC(=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 69511 |
|---|---|
| CAS | 643-65-2 |
| Molecular Weight (g/mol) | 196.25 |
| MDL Number | MFCD00008535 |
| SMILES | CC1=CC=CC(=C1)C(=O)C1=CC=CC=C1 |
| Synonym | 3-methylbenzophenone,3-methyl-benzophenone,phenyl m-tolyl methanone,benzophenone, 3-methyl,3-methylphenyl-phenylmethanone,methanone, 3-methylphenyl phenyl,3-methylphenyl phenyl ketone,3-benzoyltoluene,m-methylbenzophenone,zlchem 905 |
| IUPAC Name | (3-methylphenyl)-phenylmethanone |
| InChI Key | URBLVRAVOIVZFJ-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
4-Chlorobenzophenone, 99%
CAS: 134-85-0 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.664 MDL Number: MFCD00000622 InChI Key: UGVRJVHOJNYEHR-UHFFFAOYSA-N Synonym: 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u PubChem CID: 8653 IUPAC Name: (4-chlorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
| PubChem CID | 8653 |
|---|---|
| CAS | 134-85-0 |
| Molecular Weight (g/mol) | 216.664 |
| MDL Number | MFCD00000622 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl |
| Synonym | 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u |
| IUPAC Name | (4-chlorophenyl)-phenylmethanone |
| InChI Key | UGVRJVHOJNYEHR-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO |
4,4'-Bis(dimethylamino)benzophenone, 98%
CAS: 90-94-8 Molecular Formula: C17H20N2O Molecular Weight (g/mol): 268.36 MDL Number: MFCD00008312 InChI Key: VVBLNCFGVYUYGU-UHFFFAOYSA-N Synonym: michler's ketone,4,4'-bis dimethylamino benzophenone,michler ketone,bis 4-dimethylamino phenyl methanone,p,p'-michler's ketone,michlers ketone,methanone, bis 4-dimethylamino phenyl,tetramethyldiaminobenzophenone,p,p'-bis dimethylamino benzophenone PubChem CID: 7031 ChEBI: CHEBI:82347 IUPAC Name: bis[4-(dimethylamino)phenyl]methanone SMILES: CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C
| PubChem CID | 7031 |
|---|---|
| CAS | 90-94-8 |
| Molecular Weight (g/mol) | 268.36 |
| ChEBI | CHEBI:82347 |
| MDL Number | MFCD00008312 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C |
| Synonym | michler's ketone,4,4'-bis dimethylamino benzophenone,michler ketone,bis 4-dimethylamino phenyl methanone,p,p'-michler's ketone,michlers ketone,methanone, bis 4-dimethylamino phenyl,tetramethyldiaminobenzophenone,p,p'-bis dimethylamino benzophenone |
| IUPAC Name | bis[4-(dimethylamino)phenyl]methanone |
| InChI Key | VVBLNCFGVYUYGU-UHFFFAOYSA-N |
| Molecular Formula | C17H20N2O |
Phloroglucide hydrate, 95%
CAS: 491-45-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD01543374 InChI Key: KICYRZIVKKYRFS-UHFFFAOYSA-N Synonym: phloroglucide,2,3',4,5',6-biphenylpentol,2-3,5-dihydroxyphenyl benzene-1,3,5-triol,1,1'-biphenyl-2,3',4,5',6-pentol,phloroglucide hydrate,1,1'-biphenyl-2,3',4,5',6-pentaol,phloroglucid,d0o8yz,2,4,5',6-biphenylpentol PubChem CID: 248349 IUPAC Name: 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol SMILES: OC1=CC(O)=C(C(O)=C1)C1=CC(O)=CC(O)=C1
| PubChem CID | 248349 |
|---|---|
| CAS | 491-45-2 |
| Molecular Weight (g/mol) | 234.21 |
| MDL Number | MFCD01543374 |
| SMILES | OC1=CC(O)=C(C(O)=C1)C1=CC(O)=CC(O)=C1 |
| Synonym | phloroglucide,2,3',4,5',6-biphenylpentol,2-3,5-dihydroxyphenyl benzene-1,3,5-triol,1,1'-biphenyl-2,3',4,5',6-pentol,phloroglucide hydrate,1,1'-biphenyl-2,3',4,5',6-pentaol,phloroglucid,d0o8yz,2,4,5',6-biphenylpentol |
| IUPAC Name | 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol |
| InChI Key | KICYRZIVKKYRFS-UHFFFAOYSA-N |
| Molecular Formula | C12H10O5 |
Phloroglucide, 95%
CAS: 491-45-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD01543374 InChI Key: KICYRZIVKKYRFS-UHFFFAOYSA-N Synonym: phloroglucide,2,3',4,5',6-biphenylpentol,2-3,5-dihydroxyphenyl benzene-1,3,5-triol,1,1'-biphenyl-2,3',4,5',6-pentol,phloroglucide hydrate,1,1'-biphenyl-2,3',4,5',6-pentaol,phloroglucid,d0o8yz,2,4,5',6-biphenylpentol PubChem CID: 248349 SMILES: OC1=CC(O)=C(C(O)=C1)C1=CC(O)=CC(O)=C1
| PubChem CID | 248349 |
|---|---|
| CAS | 491-45-2 |
| Molecular Weight (g/mol) | 234.21 |
| MDL Number | MFCD01543374 |
| SMILES | OC1=CC(O)=C(C(O)=C1)C1=CC(O)=CC(O)=C1 |
| Synonym | phloroglucide,2,3',4,5',6-biphenylpentol,2-3,5-dihydroxyphenyl benzene-1,3,5-triol,1,1'-biphenyl-2,3',4,5',6-pentol,phloroglucide hydrate,1,1'-biphenyl-2,3',4,5',6-pentaol,phloroglucid,d0o8yz,2,4,5',6-biphenylpentol |
| InChI Key | KICYRZIVKKYRFS-UHFFFAOYSA-N |
| Molecular Formula | C12H10O5 |
5-Chlorovanillic acid, tech. 90%
CAS: 62936-23-6 Molecular Formula: C8H7ClO4 Molecular Weight (g/mol): 202.59 MDL Number: MFCD00016531 InChI Key: XBRYEHVBBMSSCG-UHFFFAOYSA-N PubChem CID: 44215 IUPAC Name: 3-chloro-4-hydroxy-5-methoxybenzoic acid SMILES: COC1=C(C(=CC(=C1)C(=O)O)Cl)O
| PubChem CID | 44215 |
|---|---|
| CAS | 62936-23-6 |
| Molecular Weight (g/mol) | 202.59 |
| MDL Number | MFCD00016531 |
| SMILES | COC1=C(C(=CC(=C1)C(=O)O)Cl)O |
| IUPAC Name | 3-chloro-4-hydroxy-5-methoxybenzoic acid |
| InChI Key | XBRYEHVBBMSSCG-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO4 |
Methyl 4-methoxysalicylate, 98%, Thermo Scientific™
CAS: 5446-02-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00008424 InChI Key: ZICRWXFGZCVTBZ-UHFFFAOYSA-N Synonym: Methyle2-hydroxy-4-methoxybenzoate IUPAC Name: methyl 2-hydroxy-4-methoxybenzoate SMILES: COC(=O)C1=CC=C(OC)C=C1O
| CAS | 5446-02-6 |
|---|---|
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00008424 |
| SMILES | COC(=O)C1=CC=C(OC)C=C1O |
| Synonym | Methyle2-hydroxy-4-methoxybenzoate |
| IUPAC Name | methyl 2-hydroxy-4-methoxybenzoate |
| InChI Key | ZICRWXFGZCVTBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Methyl 3-fluoro-4-methoxybenzoate, 95%, Thermo Scientific™
CAS: 369-30-2 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.17 MDL Number: MFCD00215839 InChI Key: MIKOKYAREMINFF-UHFFFAOYSA-N Synonym: benzoic acid, 3-fluoro-4-methoxy-, methyl ester,methyl 3-fluoro-4-methyloxy benzoate,3-fluoro-4-methoxybenzoic acid methyl ester,pubchem3569,acmc-1ck9v,rarechem al bf 0055,# PubChem CID: 592848 IUPAC Name: methyl 3-fluoro-4-methoxybenzoate SMILES: COC(=O)C1=CC(F)=C(OC)C=C1
| PubChem CID | 592848 |
|---|---|
| CAS | 369-30-2 |
| Molecular Weight (g/mol) | 184.17 |
| MDL Number | MFCD00215839 |
| SMILES | COC(=O)C1=CC(F)=C(OC)C=C1 |
| Synonym | benzoic acid, 3-fluoro-4-methoxy-, methyl ester,methyl 3-fluoro-4-methyloxy benzoate,3-fluoro-4-methoxybenzoic acid methyl ester,pubchem3569,acmc-1ck9v,rarechem al bf 0055,# |
| IUPAC Name | methyl 3-fluoro-4-methoxybenzoate |
| InChI Key | MIKOKYAREMINFF-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO3 |
3-Amino-4-methoxybenzoic acid, 98+%
CAS: 2840-26-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00002521 InChI Key: FDGAEAYZQQCBRN-UHFFFAOYSA-N Synonym: 3-amino-p-anisic acid,p-anisic acid, 3-amino,3-amino-4-methoxy-benzoic acid,3-amino-4-anisic acid,3-amino-4-methoxybenzoicacid,benzoic acid, 3-amino-4-methoxy,kyselina 3-amino-4-methoxybenzoova,3-amino-4-methoxybenzoic,5-carboxy-2-methoxyaniline,kyselina 3-amino-4-methoxybenzoova czech PubChem CID: 17823 IUPAC Name: 3-amino-4-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)N
| PubChem CID | 17823 |
|---|---|
| CAS | 2840-26-8 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00002521 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)N |
| Synonym | 3-amino-p-anisic acid,p-anisic acid, 3-amino,3-amino-4-methoxy-benzoic acid,3-amino-4-anisic acid,3-amino-4-methoxybenzoicacid,benzoic acid, 3-amino-4-methoxy,kyselina 3-amino-4-methoxybenzoova,3-amino-4-methoxybenzoic,5-carboxy-2-methoxyaniline,kyselina 3-amino-4-methoxybenzoova czech |
| IUPAC Name | 3-amino-4-methoxybenzoic acid |
| InChI Key | FDGAEAYZQQCBRN-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Methyl 2-amino-5-methoxybenzoate, 96%
CAS: 2475-80-1 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.19 MDL Number: MFCD09038482 InChI Key: MOVBJUGHBJJKOW-UHFFFAOYSA-N PubChem CID: 13052275 IUPAC Name: methyl 2-amino-5-methoxybenzoate SMILES: COC(=O)C1=C(N)C=CC(OC)=C1
| PubChem CID | 13052275 |
|---|---|
| CAS | 2475-80-1 |
| Molecular Weight (g/mol) | 181.19 |
| MDL Number | MFCD09038482 |
| SMILES | COC(=O)C1=C(N)C=CC(OC)=C1 |
| IUPAC Name | methyl 2-amino-5-methoxybenzoate |
| InChI Key | MOVBJUGHBJJKOW-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO3 |
3-Bromo-4-methoxybenzoic acid, 98+%
CAS: 99-58-1 Molecular Formula: C8H6BrO3 Molecular Weight (g/mol): 230.04 MDL Number: MFCD00020295 InChI Key: BBPZABXVRBFWGD-UHFFFAOYSA-M Synonym: 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole PubChem CID: 66836 IUPAC Name: 3-bromo-4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1Br)C([O-])=O
| PubChem CID | 66836 |
|---|---|
| CAS | 99-58-1 |
| Molecular Weight (g/mol) | 230.04 |
| MDL Number | MFCD00020295 |
| SMILES | COC1=CC=C(C=C1Br)C([O-])=O |
| Synonym | 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole |
| IUPAC Name | 3-bromo-4-methoxybenzoic acid |
| InChI Key | BBPZABXVRBFWGD-UHFFFAOYSA-M |
| Molecular Formula | C8H6BrO3 |
Methyl 3-bromo-4-methoxybenzoate, 98%
CAS: 35450-37-4 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.07 MDL Number: MFCD00210463 InChI Key: ZREVPFANJBZHEU-UHFFFAOYSA-N Synonym: 3-bromo-4-methoxybenzoic acid methyl ester,methyl3-bromo-4-methoxybenzoate,benzoic acid, 3-bromo-4-methoxy-, methyl ester,acmc-209igx,methyl 3-bromo-p-anisate,rarechem al bf 0247,methyl-3-bromo-4-methoxybenzoate,3-bromo-p-anisic acid methyl ester,#,methyl 3-bromo-4-methyloxy benzoate PubChem CID: 611662 IUPAC Name: methyl 3-bromo-4-methoxybenzoate SMILES: COC(=O)C1=CC(Br)=C(OC)C=C1
| PubChem CID | 611662 |
|---|---|
| CAS | 35450-37-4 |
| Molecular Weight (g/mol) | 245.07 |
| MDL Number | MFCD00210463 |
| SMILES | COC(=O)C1=CC(Br)=C(OC)C=C1 |
| Synonym | 3-bromo-4-methoxybenzoic acid methyl ester,methyl3-bromo-4-methoxybenzoate,benzoic acid, 3-bromo-4-methoxy-, methyl ester,acmc-209igx,methyl 3-bromo-p-anisate,rarechem al bf 0247,methyl-3-bromo-4-methoxybenzoate,3-bromo-p-anisic acid methyl ester,#,methyl 3-bromo-4-methyloxy benzoate |
| IUPAC Name | methyl 3-bromo-4-methoxybenzoate |
| InChI Key | ZREVPFANJBZHEU-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO3 |