Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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3,121 – 3,135 of 202,906 results

3,121

N-Phenylglycine Ethyl Ester 98.0+%, TCI America™

CAS: 2216-92-4 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00038315 InChI Key: MLSGRWDEDYJNER-UHFFFAOYSA-N Synonym: n-phenylglycine ethyl ester,ethyl phenylglycinate,ethyl 2-phenylamino acetate,ethyl n-phenylglycinate,glycine, n-phenyl-, ethyl ester,unii-7xl9t8bk0u,ethyl anilinoacetate,n-phenylglycineethylester,n-phenylglycine ethyl,7xl9t8bk0u PubChem CID: 75190 IUPAC Name: ethyl 2-anilinoacetate SMILES: CCOC(=O)CNC1=CC=CC=C1

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PubChem CID	75190
CAS	2216-92-4
Molecular Weight (g/mol)	179.219
MDL Number	MFCD00038315
SMILES	CCOC(=O)CNC1=CC=CC=C1
Synonym	n-phenylglycine ethyl ester,ethyl phenylglycinate,ethyl 2-phenylamino acetate,ethyl n-phenylglycinate,glycine, n-phenyl-, ethyl ester,unii-7xl9t8bk0u,ethyl anilinoacetate,n-phenylglycineethylester,n-phenylglycine ethyl,7xl9t8bk0u
IUPAC Name	ethyl 2-anilinoacetate
InChI Key	MLSGRWDEDYJNER-UHFFFAOYSA-N
Molecular Formula	C10H13NO2

3,122

Methotrexate Hydrate 98.0+%, TCI America™

CAS: 59-05-2 Molecular Formula: C20H22N8O5 Molecular Weight (g/mol): 454.447 MDL Number: MFCD00150847 InChI Key: FBOZXECLQNJBKD-ZDUSSCGKSA-N Synonym: methotrexate,abitrexate,rheumatrex,amethopterin,mexate,metatrexan,hdmtx,trexall,methylaminopterinum,antifolan PubChem CID: 126941 ChEBI: CHEBI:44185 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

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Specifications

PubChem CID	126941
CAS	59-05-2
Molecular Weight (g/mol)	454.447
ChEBI	CHEBI:44185
MDL Number	MFCD00150847
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Synonym	methotrexate,abitrexate,rheumatrex,amethopterin,mexate,metatrexan,hdmtx,trexall,methylaminopterinum,antifolan
IUPAC Name	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
InChI Key	FBOZXECLQNJBKD-ZDUSSCGKSA-N
Molecular Formula	C20H22N8O5

3,123

Ethyl (S)-(-)-1-Ethyl-2-pyrrolidinecarboxylate 98.0+%, TCI America™

CAS: 938-54-5 Molecular Formula: C9H17NO2 Molecular Weight (g/mol): 171.24 MDL Number: MFCD00191434 InChI Key: CUDOPASYFARLIF-QMMMGPOBSA-N Synonym: (S)-(-)-1-Ethyl-2-pyrrolidinecarboxylic Acid Ethyl Ester, (-)-1-Ethyl-L-proline Ethyl Ester, Et-Pro-OEt PubChem CID: 10942897 IUPAC Name: ethyl (2S)-1-ethylpyrrolidine-2-carboxylate SMILES: CCN1CCCC1C(=O)OCC

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Specifications

PubChem CID	10942897
CAS	938-54-5
Molecular Weight (g/mol)	171.24
MDL Number	MFCD00191434
SMILES	CCN1CCCC1C(=O)OCC
Synonym	(S)-(-)-1-Ethyl-2-pyrrolidinecarboxylic Acid Ethyl Ester, (-)-1-Ethyl-L-proline Ethyl Ester, Et-Pro-OEt
IUPAC Name	ethyl (2S)-1-ethylpyrrolidine-2-carboxylate
InChI Key	CUDOPASYFARLIF-QMMMGPOBSA-N
Molecular Formula	C9H17NO2

3,124

5-Chloro-3-nitrosalicylaldehyde 98.0+%, TCI America™

CAS: 16634-90-5 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00462959 InChI Key: YSDCZOBSHGDCCI-UHFFFAOYSA-N Synonym: 5-Chloro-2-hydroxy-3-nitrobenzaldehyde PubChem CID: 177763 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Cl

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Specifications

PubChem CID	177763
CAS	16634-90-5
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00462959
SMILES	C1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)Cl
Synonym	5-Chloro-2-hydroxy-3-nitrobenzaldehyde
InChI Key	YSDCZOBSHGDCCI-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

3,125

[N-[alpha-[2-(Dibutylglycinamido)phenyl]benzylidene]glycinato]nickel 95.0+%, TCI America™

CAS: 847654-16-4 Molecular Formula: C25H31N3NiO3 Molecular Weight (g/mol): 480.23 MDL Number: MFCD10566890 InChI Key: KZZGXIZCIUYKSB-UHFFFAOYSA-L PubChem CID: 53384304 IUPAC Name: nickel(2+) 2-{[(2-{[2-(dibutylamino)-1-oxidoethylidene]amino}phenyl)(phenyl)methylidene]amino}acetate SMILES: [Ni++].CCCCN(CCCC)CC([O-])=NC1=CC=CC=C1C(=NCC([O-])=O)C1=CC=CC=C1

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Specifications

PubChem CID	53384304
CAS	847654-16-4
Molecular Weight (g/mol)	480.23
MDL Number	MFCD10566890
SMILES	[Ni++].CCCCN(CCCC)CC([O-])=NC1=CC=CC=C1C(=NCC([O-])=O)C1=CC=CC=C1
IUPAC Name	nickel(2+) 2-{[(2-{[2-(dibutylamino)-1-oxidoethylidene]amino}phenyl)(phenyl)methylidene]amino}acetate
InChI Key	KZZGXIZCIUYKSB-UHFFFAOYSA-L
Molecular Formula	C25H31N3NiO3

3,126

4-Propylcyclohexanone 98.0+%, TCI America™

CAS: 40649-36-3 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.226 MDL Number: MFCD00058690 InChI Key: NQEDLIZOPMNZMC-UHFFFAOYSA-N Synonym: 4-propylcyclohexanone,4-n-propylcyclohexanone,cyclohexanone, 4-propyl,4-propyl-1-cyclohexanone,4-propylcyclohexanon,4-propyl-cyclohexanone,pubchem14023,acmc-1arvj,4beta-propylcyclohexanone,4-n-propyl-cyclohexanone PubChem CID: 142482 IUPAC Name: 4-propylcyclohexan-1-one SMILES: CCCC1CCC(=O)CC1

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Specifications

PubChem CID	142482
CAS	40649-36-3
Molecular Weight (g/mol)	140.226
MDL Number	MFCD00058690
SMILES	CCCC1CCC(=O)CC1
Synonym	4-propylcyclohexanone,4-n-propylcyclohexanone,cyclohexanone, 4-propyl,4-propyl-1-cyclohexanone,4-propylcyclohexanon,4-propyl-cyclohexanone,pubchem14023,acmc-1arvj,4beta-propylcyclohexanone,4-n-propyl-cyclohexanone
IUPAC Name	4-propylcyclohexan-1-one
InChI Key	NQEDLIZOPMNZMC-UHFFFAOYSA-N
Molecular Formula	C9H16O

3,127

[NH2Me2][(RuCl((R)-xylbinap))2(mu-Cl)3], TCI America™

CAS: 944451-08-5 Molecular Formula: C106H107Cl5NP4Ru2 Molecular Weight (g/mol): 1898.31 MDL Number: MFCD09753035 InChI Key: LJSDQAUPXVWQNF-UHFFFAOYSA-M Synonym: Dimethylammonium Dichlorotri(mu-chloro)bis[(R)-(+)-2,2′C-bis[di(3,5-xylyl)phosphino]-1,1′C-binaphthyl]diruthenate(II) PubChem CID: 131674757 IUPAC Name: [chloraniumyl(chloro)ruthenio]chloranium dimethylamine bis({2'-[bis(3,5-dimethylphenyl)phosphanyl]-[1,1'-binaphthalen]-2-yl}bis(3,5-dimethylphenyl)phosphane) hydrochloride ruthenium chloride SMILES: Cl.[Cl-].[Ru].CNC.[ClH+][Ru-]([ClH+])[ClH+].CC1=CC(=CC(C)=C1)P(C1=CC(C)=CC(C)=C1)C1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1P(C1=CC(C)=CC(C)=C1)C1=CC(C)=CC(C)=C1.CC1=CC(=CC(C)=C1)P(C1=CC(C)=CC(C)=C1)C1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1P(C1=CC(C)=CC(C)=C1)C1=CC(C)=CC(C)=C1

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Specifications

PubChem CID	131674757
CAS	944451-08-5
Molecular Weight (g/mol)	1898.31
MDL Number	MFCD09753035
SMILES	Cl.[Cl-].[Ru].CNC.[ClH+][Ru-]([ClH+])[ClH+].CC1=CC(=CC(C)=C1)P(C1=CC(C)=CC(C)=C1)C1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1P(C1=CC(C)=CC(C)=C1)C1=CC(C)=CC(C)=C1.CC1=CC(=CC(C)=C1)P(C1=CC(C)=CC(C)=C1)C1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1P(C1=CC(C)=CC(C)=C1)C1=CC(C)=CC(C)=C1
Synonym	Dimethylammonium Dichlorotri(mu-chloro)bis[(R)-(+)-2,2′C-bis[di(3,5-xylyl)phosphino]-1,1′C-binaphthyl]diruthenate(II)
IUPAC Name	[chloraniumyl(chloro)ruthenio]chloranium dimethylamine bis({2'-[bis(3,5-dimethylphenyl)phosphanyl]-[1,1'-binaphthalen]-2-yl}bis(3,5-dimethylphenyl)phosphane) hydrochloride ruthenium chloride
InChI Key	LJSDQAUPXVWQNF-UHFFFAOYSA-M
Molecular Formula	C106H107Cl5NP4Ru2

3,128

DBD-COCl 93.0+%, TCI America™

CAS: 156153-43-4 Molecular Formula: C11H13ClN4O4S Molecular Weight (g/mol): 332.759 MDL Number: MFCD00191377 InChI Key: NAIIBGUHMHXMNS-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-(N-chloroformylmethyl-N-methylamino)benzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-(N-chloroformylmethyl-N-methylamino)-2,1,3-benzoxadiazole PubChem CID: 133003 IUPAC Name: 2-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]-methylamino]acetyl chloride SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N(C)CC(=O)Cl

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Specifications

PubChem CID	133003
CAS	156153-43-4
Molecular Weight (g/mol)	332.759
MDL Number	MFCD00191377
SMILES	CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N(C)CC(=O)Cl
Synonym	4-(N,N-Dimethylaminosulfonyl)-7-(N-chloroformylmethyl-N-methylamino)benzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-(N-chloroformylmethyl-N-methylamino)-2,1,3-benzoxadiazole
IUPAC Name	2-[[4-(dimethylsulfamoyl)-2,1,3-benzoxadiazol-7-yl]-methylamino]acetyl chloride
InChI Key	NAIIBGUHMHXMNS-UHFFFAOYSA-N
Molecular Formula	C11H13ClN4O4S

3,129

3-Acetamidophthalic Anhydride 98.0+%, TCI America™

CAS: 6296-53-3 Molecular Formula: C10H7NO4 Molecular Weight (g/mol): 205.17 MDL Number: MFCD00453138 InChI Key: PAUAJOABXCGLCN-UHFFFAOYSA-N PubChem CID: 226121 IUPAC Name: N-(1,3-dioxo-1,3-dihydro-2-benzofuran-4-yl)acetamide SMILES: CC(=O)NC1=CC=CC2=C1C(=O)OC2=O

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Specifications

PubChem CID	226121
CAS	6296-53-3
Molecular Weight (g/mol)	205.17
MDL Number	MFCD00453138
SMILES	CC(=O)NC1=CC=CC2=C1C(=O)OC2=O
IUPAC Name	N-(1,3-dioxo-1,3-dihydro-2-benzofuran-4-yl)acetamide
InChI Key	PAUAJOABXCGLCN-UHFFFAOYSA-N
Molecular Formula	C10H7NO4

3,130

Bromobimane 98.0+%, TCI America™

CAS: 71418-44-5 Molecular Formula: C10H11BrN2O2 Molecular Weight (g/mol): 271.11 MDL Number: MFCD00036951 InChI Key: AHEWZZJEDQVLOP-UHFFFAOYSA-N Synonym: Monobromobimane, 3-(Bromomethyl)-2,5,6-trimethylpyrazolo[1,2-a]pyrazole-1,7-dione PubChem CID: 114810 ChEBI: CHEBI:62825 IUPAC Name: 3-(bromomethyl)-2,5,6-trimethyl-1H,7H-[1,2]diazolo[1,2-a]pyrazole-1,7-dione SMILES: CC1=C(C)C(=O)N2N1C(CBr)=C(C)C2=O

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Specifications

PubChem CID	114810
CAS	71418-44-5
Molecular Weight (g/mol)	271.11
ChEBI	CHEBI:62825
MDL Number	MFCD00036951
SMILES	CC1=C(C)C(=O)N2N1C(CBr)=C(C)C2=O
Synonym	Monobromobimane, 3-(Bromomethyl)-2,5,6-trimethylpyrazolo[1,2-a]pyrazole-1,7-dione
IUPAC Name	3-(bromomethyl)-2,5,6-trimethyl-1H,7H-[1,2]diazolo[1,2-a]pyrazole-1,7-dione
InChI Key	AHEWZZJEDQVLOP-UHFFFAOYSA-N
Molecular Formula	C10H11BrN2O2

3,131

Lauroylcholine Chloride Hydrate 98.0+%, TCI America™

CAS: 25234-60-0 Molecular Formula: C17H36ClNO2 Molecular Weight (g/mol): 321.93 MDL Number: MFCD00050185 InChI Key: BBJUKVPDIPYNBS-UHFFFAOYSA-M Synonym: Dodecanoylcholine Chloride PubChem CID: 91343 IUPAC Name: 2-dodecanoyloxyethyl(trimethyl)azanium;chloride SMILES: CCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]

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Specifications

PubChem CID	91343
CAS	25234-60-0
Molecular Weight (g/mol)	321.93
MDL Number	MFCD00050185
SMILES	CCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]
Synonym	Dodecanoylcholine Chloride
IUPAC Name	2-dodecanoyloxyethyl(trimethyl)azanium;chloride
InChI Key	BBJUKVPDIPYNBS-UHFFFAOYSA-M
Molecular Formula	C17H36ClNO2

3,132

Ethyl N-(tert-Butoxycarbonyl)-D-pyroglutamate 95.0+%, TCI America™

CAS: 144978-35-8 Molecular Formula: C12H19NO5 Molecular Weight (g/mol): 257.286 MDL Number: MFCD09261329 InChI Key: YWWWGFSJHCFVOW-MRVPVSSYSA-N Synonym: N-(tert-Butoxycarbonyl)-D-pyroglutamic Acid Ethyl Ester, Ethyl (R)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylate, (R)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic Acid Ethyl Ester, Ethyl N-Boc-D-pyroglutamate, N-Boc-D-pyroglutamic Acid E PubChem CID: 820885 IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2R)-5-oxopyrrolidine-1,2-dicarboxylate SMILES: CCOC(=O)C1CCC(=O)N1C(=O)OC(C)(C)C

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Specifications

PubChem CID	820885
CAS	144978-35-8
Molecular Weight (g/mol)	257.286
MDL Number	MFCD09261329
SMILES	CCOC(=O)C1CCC(=O)N1C(=O)OC(C)(C)C
Synonym	N-(tert-Butoxycarbonyl)-D-pyroglutamic Acid Ethyl Ester, Ethyl (R)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylate, (R)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic Acid Ethyl Ester, Ethyl N-Boc-D-pyroglutamate, N-Boc-D-pyroglutamic Acid E
IUPAC Name	1-O-tert-butyl 2-O-ethyl (2R)-5-oxopyrrolidine-1,2-dicarboxylate
InChI Key	YWWWGFSJHCFVOW-MRVPVSSYSA-N
Molecular Formula	C12H19NO5

3,133

2,5-Norbornadiene Palladium(II) Dichloride 97.0+%, TCI America™

CAS: 12317-46-3 Molecular Formula: C7H8Cl2Pd Molecular Weight (g/mol): 269.461 MDL Number: MFCD00134222 InChI Key: BNCRZJHZZCMDNP-UHFFFAOYSA-L Synonym: Dichloro-2,5-norbornadiene Palladium(II), 2,5-Norbornadienedichloropalladium(II) PubChem CID: 11346242 IUPAC Name: bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium SMILES: C1C2C=CC1C=C2.Cl[Pd]Cl

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Specifications

PubChem CID	11346242
CAS	12317-46-3
Molecular Weight (g/mol)	269.461
MDL Number	MFCD00134222
SMILES	C1C2C=CC1C=C2.Cl[Pd]Cl
Synonym	Dichloro-2,5-norbornadiene Palladium(II), 2,5-Norbornadienedichloropalladium(II)
IUPAC Name	bicyclo[2.2.1]hepta-2,5-diene;dichloropalladium
InChI Key	BNCRZJHZZCMDNP-UHFFFAOYSA-L
Molecular Formula	C7H8Cl2Pd

3,134

7-(Diethylamino)-3-phenylcoumarin 98.0+%, TCI America™

CAS: 84865-19-0 Molecular Formula: C19H19NO2 Molecular Weight (g/mol): 293.366 MDL Number: MFCD00408422 InChI Key: PSJYODMHCCQXQB-UHFFFAOYSA-N PubChem CID: 688943 IUPAC Name: 7-(diethylamino)-3-phenylchromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3

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Specifications

PubChem CID	688943
CAS	84865-19-0
Molecular Weight (g/mol)	293.366
MDL Number	MFCD00408422
SMILES	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3
IUPAC Name	7-(diethylamino)-3-phenylchromen-2-one
InChI Key	PSJYODMHCCQXQB-UHFFFAOYSA-N
Molecular Formula	C19H19NO2

3,135

Benzoyl-L-histidine Monohydrate 98.0+%, TCI America™

CAS: 5354-94-9 Molecular Formula: C13H13N3O3 Molecular Weight (g/mol): 259.265 MDL Number: MFCD00037850 InChI Key: AUDPUFBIVWMAED-NSHDSACASA-N PubChem CID: 152263 IUPAC Name: (2S)-2-benzamido-3-(1H-imidazol-5-yl)propanoic acid SMILES: C1=CC=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O

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Specifications

PubChem CID	152263
CAS	5354-94-9
Molecular Weight (g/mol)	259.265
MDL Number	MFCD00037850
SMILES	C1=CC=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)O
IUPAC Name	(2S)-2-benzamido-3-(1H-imidazol-5-yl)propanoic acid
InChI Key	AUDPUFBIVWMAED-NSHDSACASA-N
Molecular Formula	C13H13N3O3

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