Unclassified Organic Compounds

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

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3,661 – 3,675 of 205,514 results

3,661

Sodium 2-Chloroethanesulfonate (ca. 13% in Water), TCI America™

CAS: 15484-44-3 Molecular Formula: C2H4ClNaO3S Molecular Weight (g/mol): 166.55 MDL Number: MFCD00149546 MFCD00007531 InChI Key: BVIXLMYIFZGRBH-UHFFFAOYSA-M Synonym: sodium 2-chloroethylsulfonate,2-chloroethane sulfonic acid sodium salt,sodium .beta.-chloroethanesulfonate,sodium 2-chloroethane-1-sulfonic acid,sodium 2-chloroethanesulfonic acid PubChem CID: 54611855 IUPAC Name: sodium 2-chloroethane-1-sulfonate SMILES: [Na+].[O-]S(=O)(=O)CCCl

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Specifications

PubChem CID	54611855
CAS	15484-44-3
Molecular Weight (g/mol)	166.55
MDL Number	MFCD00149546 MFCD00007531
SMILES	[Na+].[O-]S(=O)(=O)CCCl
Synonym	sodium 2-chloroethylsulfonate,2-chloroethane sulfonic acid sodium salt,sodium .beta.-chloroethanesulfonate,sodium 2-chloroethane-1-sulfonic acid,sodium 2-chloroethanesulfonic acid
IUPAC Name	sodium 2-chloroethane-1-sulfonate
InChI Key	BVIXLMYIFZGRBH-UHFFFAOYSA-M
Molecular Formula	C2H4ClNaO3S

3,662

Loganin 98.0+%, TCI America™

CAS: 18524-94-2 Molecular Formula: C17H26O10 Molecular Weight (g/mol): 390.385 MDL Number: MFCD00075645 InChI Key: AMBQHHVBBHTQBF-UOUCRYGSSA-N PubChem CID: 87691 ChEBI: CHEBI:15771 IUPAC Name: methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate SMILES: CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O

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Specifications

PubChem CID	87691
CAS	18524-94-2
Molecular Weight (g/mol)	390.385
ChEBI	CHEBI:15771
MDL Number	MFCD00075645
SMILES	CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O
IUPAC Name	methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
InChI Key	AMBQHHVBBHTQBF-UOUCRYGSSA-N
Molecular Formula	C17H26O10

3,663

Polyethylene Glycol Stearylamine (n=approx. 15), TCI America™

MDL Number: MFCD00148008

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Specifications

MDL Number	MFCD00148008

3,664

D-Arginine Methyl Ester Dihydrochloride 98.0+%, TCI America™

CAS: 78851-84-0 Molecular Formula: C7H18Cl2N4O2 Molecular Weight (g/mol): 261.147 MDL Number: MFCD00153417 InChI Key: XQYZOBNLCUAXLF-ZJIMSODOSA-N PubChem CID: 12714066 IUPAC Name: methyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride SMILES: COC(=O)C(CCCN=C(N)N)N.Cl.Cl

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Specifications

PubChem CID	12714066
CAS	78851-84-0
Molecular Weight (g/mol)	261.147
MDL Number	MFCD00153417
SMILES	COC(=O)C(CCCN=C(N)N)N.Cl.Cl
IUPAC Name	methyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
InChI Key	XQYZOBNLCUAXLF-ZJIMSODOSA-N
Molecular Formula	C7H18Cl2N4O2

3,665

D-Glutamic Acid 98.0+%, TCI America™

CAS: 6893-26-1 Molecular Formula: C5H9NO4 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00063112 InChI Key: WHUUTDBJXJRKMK-GSVOUGTGSA-N Synonym: d-glutamic acid,h-d-glu-oh,d-glu,r-2-aminopentanedioic acid,2r-2-aminopentanedioic acid,d-glutamate,d-2-aminopentanedioic acid,glutamic acid d-form,d--glutamic acid,d-glutaminic acid PubChem CID: 23327 ChEBI: CHEBI:15966 IUPAC Name: (2R)-2-aminopentanedioic acid SMILES: C(CC(=O)O)C(C(=O)O)N

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Specifications

PubChem CID	23327
CAS	6893-26-1
Molecular Weight (g/mol)	147.13
ChEBI	CHEBI:15966
MDL Number	MFCD00063112
SMILES	C(CC(=O)O)C(C(=O)O)N
Synonym	d-glutamic acid,h-d-glu-oh,d-glu,r-2-aminopentanedioic acid,2r-2-aminopentanedioic acid,d-glutamate,d-2-aminopentanedioic acid,glutamic acid d-form,d--glutamic acid,d-glutaminic acid
IUPAC Name	(2R)-2-aminopentanedioic acid
InChI Key	WHUUTDBJXJRKMK-GSVOUGTGSA-N
Molecular Formula	C5H9NO4

3,666

2-Hydroxy-3-methyl-2-cyclopentenone 98.0+%, TCI America™

CAS: 80-71-7 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00013747 InChI Key: CFAKWWQIUFSQFU-UHFFFAOYSA-N Synonym: Cyclotene, 3-Methyl-1,2-cyclopentanedione, 3-Methyl-2-cyclopentenon-2-ol PubChem CID: 6660 IUPAC Name: 2-hydroxy-3-methylcyclopent-2-en-1-one SMILES: CC1=C(C(=O)CC1)O

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Specifications

PubChem CID	6660
CAS	80-71-7
Molecular Weight (g/mol)	112.128
MDL Number	MFCD00013747
SMILES	CC1=C(C(=O)CC1)O
Synonym	Cyclotene, 3-Methyl-1,2-cyclopentanedione, 3-Methyl-2-cyclopentenon-2-ol
IUPAC Name	2-hydroxy-3-methylcyclopent-2-en-1-one
InChI Key	CFAKWWQIUFSQFU-UHFFFAOYSA-N
Molecular Formula	C6H8O2

3,667

(R)-RUCY(regR)-XylBINAP, TCI America™

CAS: 1384974-38-2 Molecular Formula: C71H73ClN2O2P2Ru MDL Number: MFCD20261161 Synonym: RuCl[(R)-daipena][(R)-xylbinap]

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Specifications

CAS	1384974-38-2
MDL Number	MFCD20261161
Synonym	RuCl[(R)-daipena][(R)-xylbinap]
Molecular Formula	C71H73ClN2O2P2Ru

3,668

Ritonavir 98.0+%, TCI America™

CAS: 155213-67-5 Molecular Formula: C37H48N6O5S2 Molecular Weight (g/mol): 720.948 MDL Number: MFCD00927142 InChI Key: NCDNCNXCDXHOMX-XGKFQTDJSA-N Synonym: ritonavir,norvir,abbott 84538,abbott-84538,ritonavir usan,norvir softgel,norvir sec,unii-o3j8g9o825,norvir tm,norvir tn PubChem CID: 392622 ChEBI: CHEBI:45409 IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

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Specifications

PubChem CID	392622
CAS	155213-67-5
Molecular Weight (g/mol)	720.948
ChEBI	CHEBI:45409
MDL Number	MFCD00927142
SMILES	CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
Synonym	ritonavir,norvir,abbott 84538,abbott-84538,ritonavir usan,norvir softgel,norvir sec,unii-o3j8g9o825,norvir tm,norvir tn
IUPAC Name	1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
InChI Key	NCDNCNXCDXHOMX-XGKFQTDJSA-N
Molecular Formula	C37H48N6O5S2

3,669

DL-Tryptophan Ethyl Ester Hydrochloride 99.0+%, TCI America™

CAS: 6519-67-1 Molecular Formula: C13H16ClN2O2 Molecular Weight (g/mol): 267.73 MDL Number: MFCD00067553 InChI Key: KQMBXHHYHOTYOO-UHFFFAOYNA-N Synonym: (+/-)-2-Amino-3-(3-indolyl)propionic Acid Ethyl Ester Hydrochloride, H-DL-Trp-OEt.HCl PubChem CID: 11173230 IUPAC Name: ethyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloridyl SMILES: [Cl].CCOC(=O)C(N)CC1=CNC2=CC=CC=C12

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Specifications

PubChem CID	11173230
CAS	6519-67-1
Molecular Weight (g/mol)	267.73
MDL Number	MFCD00067553
SMILES	[Cl].CCOC(=O)C(N)CC1=CNC2=CC=CC=C12
Synonym	(+/-)-2-Amino-3-(3-indolyl)propionic Acid Ethyl Ester Hydrochloride, H-DL-Trp-OEt.HCl
IUPAC Name	ethyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloridyl
InChI Key	KQMBXHHYHOTYOO-UHFFFAOYNA-N
Molecular Formula	C13H16ClN2O2

3,670

2-Allylcyclohexanone 97.0+%, TCI America™

CAS: 94-66-6 Molecular Formula: C9H14O Molecular Weight (g/mol): 138.21 MDL Number: MFCD00043548 InChI Key: UPGHEUSRLZSXAE-UHFFFAOYNA-N Synonym: 2-allylcyclohexanone,cyclohexanone, 2-2-propenyl,2-allylcyclohexan-1-one,cyclohexanone, 2-allyl,2-2-propenyl cyclohexanone,cyclohexanone, 2-2-propen-1-yl,2-prop-2-en-1-yl cyclohexan-1-one,2-allyl cyclohexanone,2-allyl-cyclohexanone,2-allyl-cyclohexan-1-one PubChem CID: 78944 IUPAC Name: 2-(prop-2-en-1-yl)cyclohexan-1-one SMILES: C=CCC1CCCCC1=O

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Specifications

PubChem CID	78944
CAS	94-66-6
Molecular Weight (g/mol)	138.21
MDL Number	MFCD00043548
SMILES	C=CCC1CCCCC1=O
Synonym	2-allylcyclohexanone,cyclohexanone, 2-2-propenyl,2-allylcyclohexan-1-one,cyclohexanone, 2-allyl,2-2-propenyl cyclohexanone,cyclohexanone, 2-2-propen-1-yl,2-prop-2-en-1-yl cyclohexan-1-one,2-allyl cyclohexanone,2-allyl-cyclohexanone,2-allyl-cyclohexan-1-one
IUPAC Name	2-(prop-2-en-1-yl)cyclohexan-1-one
InChI Key	UPGHEUSRLZSXAE-UHFFFAOYNA-N
Molecular Formula	C9H14O

3,671

Neocuproine Hemihydrate 98.0+%, TCI America™

CAS: 34302-69-7 Molecular Formula: C28H26N4O Molecular Weight (g/mol): 434.54 MDL Number: MFCD00149306,MFCD00004973,MFCD00149306,MFCD23140843 InChI Key: IEBXFSLFDFHSRD-UHFFFAOYSA-N Synonym: unii-2sdt9ev86w,2sdt9ev86w,neocuproine hemihydrate mi,1,10-phenanthroline, 2,9-dimethyl-, hemihydrate,1,10-phenanthroline, 2,9-dimethyl-, hydrate 2:1,2,9-dimethyl-1,10-phenthroline hemihydrate PubChem CID: 67652146 IUPAC Name: bis(2,9-dimethyl-1,10-phenanthroline) hydrate SMILES: O.CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1.CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1

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Specifications

PubChem CID	67652146
CAS	34302-69-7
Molecular Weight (g/mol)	434.54
MDL Number	MFCD00149306,MFCD00004973,MFCD00149306,MFCD23140843
SMILES	O.CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1.CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1
Synonym	unii-2sdt9ev86w,2sdt9ev86w,neocuproine hemihydrate mi,1,10-phenanthroline, 2,9-dimethyl-, hemihydrate,1,10-phenanthroline, 2,9-dimethyl-, hydrate 2:1,2,9-dimethyl-1,10-phenthroline hemihydrate
IUPAC Name	bis(2,9-dimethyl-1,10-phenanthroline) hydrate
InChI Key	IEBXFSLFDFHSRD-UHFFFAOYSA-N
Molecular Formula	C28H26N4O

3,672

3-Amino-3-phenyl-1-propanol 97.0+%, TCI America™

CAS: 14593-04-5 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00801124,MFCD01311768,MFCD01311791 InChI Key: SEQXIQNPMQTBGN-UHFFFAOYNA-N Synonym: 3-amino-3-phenyl-1-propanol,dl-beta-phenylalaninol,3-amino-3-phenyl-propan-1-ol,3-phenyl-dl-beta-alaninol,1-propanol, 3-amino-3-phenyl,benzenepropanol, gamma-amino,1-amino-3-hydroxyprop-1-yl benzene,dl--phenylalaninol,3-amino-3-phenylpropanol,acmc-1c4c0 PubChem CID: 203500 IUPAC Name: 3-amino-3-phenylpropan-1-ol SMILES: NC(CCO)C1=CC=CC=C1

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Specifications

PubChem CID	203500
CAS	14593-04-5
Molecular Weight (g/mol)	151.21
MDL Number	MFCD00801124,MFCD01311768,MFCD01311791
SMILES	NC(CCO)C1=CC=CC=C1
Synonym	3-amino-3-phenyl-1-propanol,dl-beta-phenylalaninol,3-amino-3-phenyl-propan-1-ol,3-phenyl-dl-beta-alaninol,1-propanol, 3-amino-3-phenyl,benzenepropanol, gamma-amino,1-amino-3-hydroxyprop-1-yl benzene,dl--phenylalaninol,3-amino-3-phenylpropanol,acmc-1c4c0
IUPAC Name	3-amino-3-phenylpropan-1-ol
InChI Key	SEQXIQNPMQTBGN-UHFFFAOYNA-N
Molecular Formula	C9H13NO

3,673

N-Methyliminodiacetic Acid 98.0+%, TCI America™

CAS: 4408-64-4 Molecular Formula: C5H9NO4 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00004284 InChI Key: XWSGEVNYFYKXCP-UHFFFAOYSA-N Synonym: n-methyliminodiacetic acid,2,2'-methylazanediyl diacetic acid,methyliminodiacetic acid,mida,methylimidodiacetic acid,n-methyliminodiaceticacid,glycine, n-carboxymethyl-n-methyl,methylimino diacetic acid,acetic acid, methylimino di,carboxymethyl methyl amino acetic acid PubChem CID: 20441 IUPAC Name: 2-[carboxymethyl(methyl)amino]acetic acid SMILES: CN(CC(=O)O)CC(=O)O

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Specifications

PubChem CID	20441
CAS	4408-64-4
Molecular Weight (g/mol)	147.13
MDL Number	MFCD00004284
SMILES	CN(CC(=O)O)CC(=O)O
Synonym	n-methyliminodiacetic acid,2,2'-methylazanediyl diacetic acid,methyliminodiacetic acid,mida,methylimidodiacetic acid,n-methyliminodiaceticacid,glycine, n-carboxymethyl-n-methyl,methylimino diacetic acid,acetic acid, methylimino di,carboxymethyl methyl amino acetic acid
IUPAC Name	2-[carboxymethyl(methyl)amino]acetic acid
InChI Key	XWSGEVNYFYKXCP-UHFFFAOYSA-N
Molecular Formula	C5H9NO4

3,674

Dihydrojasmonic Acid 98.0+%, TCI America™

CAS: 3572-64-3 Molecular Formula: C12H20O3 Molecular Weight (g/mol): 212.29 MDL Number: MFCD18781916 InChI Key: PQEYTAGBXNEUQL-UHFFFAOYNA-N Synonym: 2-Amyl-3-(carboxymethyl)cyclopentanone, 2-Amyl-3-oxocyclopentaneacetic Acid, 3-(Carboxymethyl)-2-pentylcyclopentanone, 3-Oxo-2-pentylcyclopentaneacetic Acid PubChem CID: 107126 IUPAC Name: 2-(3-oxo-2-pentylcyclopentyl)acetic acid SMILES: CCCCCC1C(CC(O)=O)CCC1=O

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Specifications

PubChem CID	107126
CAS	3572-64-3
Molecular Weight (g/mol)	212.29
MDL Number	MFCD18781916
SMILES	CCCCCC1C(CC(O)=O)CCC1=O
Synonym	2-Amyl-3-(carboxymethyl)cyclopentanone, 2-Amyl-3-oxocyclopentaneacetic Acid, 3-(Carboxymethyl)-2-pentylcyclopentanone, 3-Oxo-2-pentylcyclopentaneacetic Acid
IUPAC Name	2-(3-oxo-2-pentylcyclopentyl)acetic acid
InChI Key	PQEYTAGBXNEUQL-UHFFFAOYNA-N
Molecular Formula	C12H20O3

3,675

2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone 95.0+%, TCI America™

CAS: 903-19-5 Molecular Formula: C22H38O2 Molecular Weight (g/mol): 334.544 MDL Number: MFCD00128797 InChI Key: CLDZVCMRASJQFO-UHFFFAOYSA-N PubChem CID: 70180 IUPAC Name: 2,5-bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC(C)(C)C)O

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Specifications

PubChem CID	70180
CAS	903-19-5
Molecular Weight (g/mol)	334.544
MDL Number	MFCD00128797
SMILES	CC(C)(C)CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC(C)(C)C)O
IUPAC Name	2,5-bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
InChI Key	CLDZVCMRASJQFO-UHFFFAOYSA-N
Molecular Formula	C22H38O2

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