Unclassified Organic Compounds

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

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4,216 – 4,230 of 165,831 results

4,216

Methyl Dihydrojasmonate (cis- and trans- mixture) 95.0+%, TCI America™

CAS: 24851-98-7 Molecular Formula: C13H22O3 Molecular Weight (g/mol): 226.316 MDL Number: MFCD00151188 InChI Key: KVWWIYGFBYDJQC-UHFFFAOYSA-N Synonym: 2-Amylcyclopentan-1-one-3-acetic Acid Methyl Ester, Dihydrojasmonic Acid Methyl Ester, Methyl 3-Oxo-2-pentyl-1-cyclopentaneacetate PubChem CID: 102861 IUPAC Name: methyl 2-(3-oxo-2-pentylcyclopentyl)acetate SMILES: CCCCCC1C(CCC1=O)CC(=O)OC

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Specifications

PubChem CID	102861
CAS	24851-98-7
Molecular Weight (g/mol)	226.316
MDL Number	MFCD00151188
SMILES	CCCCCC1C(CCC1=O)CC(=O)OC
Synonym	2-Amylcyclopentan-1-one-3-acetic Acid Methyl Ester, Dihydrojasmonic Acid Methyl Ester, Methyl 3-Oxo-2-pentyl-1-cyclopentaneacetate
IUPAC Name	methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
InChI Key	KVWWIYGFBYDJQC-UHFFFAOYSA-N
Molecular Formula	C13H22O3

4,217

4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl Alcohol 97.0+%, TCI America™

CAS: 87736-88-7 Molecular Formula: C9H7F3N2O Molecular Weight (g/mol): 216.163 InChI Key: UZHHTEASLDJYBO-UHFFFAOYSA-N Synonym: 3-[4-(Hydroxymethyl)phenyl]-3-(trifluoromethyl)-3H-diazirine PubChem CID: 11367905 IUPAC Name: [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol SMILES: C1=CC(=CC=C1CO)C2(N=N2)C(F)(F)F

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Specifications

PubChem CID	11367905
CAS	87736-88-7
Molecular Weight (g/mol)	216.163
SMILES	C1=CC(=CC=C1CO)C2(N=N2)C(F)(F)F
Synonym	3-[4-(Hydroxymethyl)phenyl]-3-(trifluoromethyl)-3H-diazirine
IUPAC Name	[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol
InChI Key	UZHHTEASLDJYBO-UHFFFAOYSA-N
Molecular Formula	C9H7F3N2O

4,218

Ethyl(2-methoxyethyl)dimethylammonium Bis(fluorosulfonyl)imide 98.0+%, TCI America™

CAS: 1235234-35-1 Molecular Formula: C7H18F2N2O5S2 Molecular Weight (g/mol): 312.347 InChI Key: JEXCPIWYTQMZON-UHFFFAOYSA-N PubChem CID: 132274879 IUPAC Name: bis(fluorosulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium SMILES: CC[N+](C)(C)CCOC.[N-](S(=O)(=O)F)S(=O)(=O)F

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Specifications

PubChem CID	132274879
CAS	1235234-35-1
Molecular Weight (g/mol)	312.347
SMILES	CC[N+](C)(C)CCOC.[N-](S(=O)(=O)F)S(=O)(=O)F
IUPAC Name	bis(fluorosulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium
InChI Key	JEXCPIWYTQMZON-UHFFFAOYSA-N
Molecular Formula	C7H18F2N2O5S2

4,219

Methyl 1-Benzyl-4-oxo-3-piperidinecarboxylate Hydrochloride 98.0+%, TCI America™

CAS: 3939-01-3 Molecular Formula: C14H18ClNO3 Molecular Weight (g/mol): 283.75 MDL Number: MFCD00012799 InChI Key: BRADBAOVPACOQQ-UHFFFAOYNA-N Synonym: methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride,methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride,methyl 1-benzyl-4-oxo-3-piperidine-carboxylate hydrochloride,1-benzyl-3-carbomethoxy-4-piperidone hydrochloride,1-benzyl-3-methoxycarbonyl-4-piperidone hydrochloride,methyl 1-benzyl-4-oxopiperidine-3-carboxylate hcl,1-benzyl-3-methoxycarbonyl-4-piperidone hcl,pubchem12956,acmc-1cll5,ksc790s5l PubChem CID: 107479 IUPAC Name: methyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride SMILES: COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl

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Specifications

PubChem CID	107479
CAS	3939-01-3
Molecular Weight (g/mol)	283.75
MDL Number	MFCD00012799
SMILES	COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl
Synonym	methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride,methyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride,methyl 1-benzyl-4-oxo-3-piperidine-carboxylate hydrochloride,1-benzyl-3-carbomethoxy-4-piperidone hydrochloride,1-benzyl-3-methoxycarbonyl-4-piperidone hydrochloride,methyl 1-benzyl-4-oxopiperidine-3-carboxylate hcl,1-benzyl-3-methoxycarbonyl-4-piperidone hcl,pubchem12956,acmc-1cll5,ksc790s5l
IUPAC Name	methyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride
InChI Key	BRADBAOVPACOQQ-UHFFFAOYNA-N
Molecular Formula	C14H18ClNO3

4,220

L-tert-Leucine Methyl Ester 98.0+%, TCI America™

CAS: 63038-26-6 Molecular Formula: C7H15NO2 Molecular Weight (g/mol): 145.202 MDL Number: MFCD00137409 InChI Key: WCYLIGGIKNKWQX-RXMQYKEDSA-N Synonym: H-Tle-OMe, Methyl (S)-2-Amino-3,3-dimethylbutyrate, (S)-2-Amino-3,3-dimethylbutyric Acid Methyl Ester PubChem CID: 11309583 IUPAC Name: methyl (2S)-2-amino-3,3-dimethylbutanoate SMILES: CC(C)(C)C(C(=O)OC)N

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Specifications

PubChem CID	11309583
CAS	63038-26-6
Molecular Weight (g/mol)	145.202
MDL Number	MFCD00137409
SMILES	CC(C)(C)C(C(=O)OC)N
Synonym	H-Tle-OMe, Methyl (S)-2-Amino-3,3-dimethylbutyrate, (S)-2-Amino-3,3-dimethylbutyric Acid Methyl Ester
IUPAC Name	methyl (2S)-2-amino-3,3-dimethylbutanoate
InChI Key	WCYLIGGIKNKWQX-RXMQYKEDSA-N
Molecular Formula	C7H15NO2

4,221

2-Iododibenzothiophene 98.0+%, TCI America™

CAS: 177586-41-3 Molecular Formula: C12H7IS Molecular Weight (g/mol): 310.15 MDL Number: MFCD28975116 InChI Key: LCTVJYHYWSCJAF-UHFFFAOYSA-N PubChem CID: 21709598 IUPAC Name: 4-iodo-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene SMILES: IC1=CC2=C(SC3=C2C=CC=C3)C=C1

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Specifications

PubChem CID	21709598
CAS	177586-41-3
Molecular Weight (g/mol)	310.15
MDL Number	MFCD28975116
SMILES	IC1=CC2=C(SC3=C2C=CC=C3)C=C1
IUPAC Name	4-iodo-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene
InChI Key	LCTVJYHYWSCJAF-UHFFFAOYSA-N
Molecular Formula	C12H7IS

4,222

Picrotoxin (Picrotoxinin + Picrotin) 94.0+%, TCI America™

CAS: 124-87-8 Molecular Formula: C30H34O13 Molecular Weight (g/mol): 602.589 MDL Number: MFCD00074824 InChI Key: VJKUPQSHOVKBCO-DMRKGALJSA-N Synonym: picrotoxin PubChem CID: 131846146 SMILES: CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O

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Specifications

PubChem CID	131846146
CAS	124-87-8
Molecular Weight (g/mol)	602.589
MDL Number	MFCD00074824
SMILES	CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
Synonym	picrotoxin
InChI Key	VJKUPQSHOVKBCO-DMRKGALJSA-N
Molecular Formula	C30H34O13

4,223

4-Nitrobenzyl (2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylate 95.0+%, TCI America™

CAS: 96034-64-9 Molecular Formula: C15H19N3O5S Molecular Weight (g/mol): 353.393 MDL Number: MFCD08063348 InChI Key: VGLBNJWGUYQZHD-STQMWFEESA-N Synonym: (2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester PubChem CID: 10871907 IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate SMILES: CN(C)C(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

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Specifications

PubChem CID	10871907
CAS	96034-64-9
Molecular Weight (g/mol)	353.393
MDL Number	MFCD08063348
SMILES	CN(C)C(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S
Synonym	(2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester
IUPAC Name	(4-nitrophenyl)methyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate
InChI Key	VGLBNJWGUYQZHD-STQMWFEESA-N
Molecular Formula	C15H19N3O5S

4,224

tert-Butyl L-Pyroglutamate 98.0+%, TCI America™

CAS: 35418-16-7 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.223 MDL Number: MFCD06659481 InChI Key: QXGSPAGZWRTTOT-LURJTMIESA-N Synonym: s-tert-butyl 5-oxopyrrolidine-2-carboxylate,s-2-pyrrolidone-5-carboxylic acid t-butyl ester,tert-butyl 5-oxo-l-prolinate,l-pyroglutamic acid tert-butyl ester,tert-butyl s-2-pyrrolidone-5-carboxylate,tert-butyl l-pyroglutamate,tert-butyl 2s-5-oxopyrrolidine-2-carboxylate,s-5-oxo-pyrrolidine-2-carboxylic acid tert-butyl ester,l-pyroglutamicacidtert-butylester,tert-butyl s-5-oxopyrrolidine-2-carboxylate PubChem CID: 10888648 IUPAC Name: tert-butyl (2S)-5-oxopyrrolidine-2-carboxylate SMILES: CC(C)(C)OC(=O)C1CCC(=O)N1

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Specifications

PubChem CID	10888648
CAS	35418-16-7
Molecular Weight (g/mol)	185.223
MDL Number	MFCD06659481
SMILES	CC(C)(C)OC(=O)C1CCC(=O)N1
Synonym	s-tert-butyl 5-oxopyrrolidine-2-carboxylate,s-2-pyrrolidone-5-carboxylic acid t-butyl ester,tert-butyl 5-oxo-l-prolinate,l-pyroglutamic acid tert-butyl ester,tert-butyl s-2-pyrrolidone-5-carboxylate,tert-butyl l-pyroglutamate,tert-butyl 2s-5-oxopyrrolidine-2-carboxylate,s-5-oxo-pyrrolidine-2-carboxylic acid tert-butyl ester,l-pyroglutamicacidtert-butylester,tert-butyl s-5-oxopyrrolidine-2-carboxylate
IUPAC Name	tert-butyl (2S)-5-oxopyrrolidine-2-carboxylate
InChI Key	QXGSPAGZWRTTOT-LURJTMIESA-N
Molecular Formula	C9H15NO3

4,225

Disodium Glutarate 99.0+%, TCI America™

CAS: 13521-83-0 Molecular Formula: C5H6Na2O4 Molecular Weight (g/mol): 176.08 MDL Number: MFCD00070497 InChI Key: ZUDYLZOBWIAUPC-UHFFFAOYSA-L Synonym: Glutaric Acid Disodium Salt PubChem CID: 161742 IUPAC Name: disodium pentanedioate SMILES: [Na+].[Na+].[O-]C(=O)CCCC([O-])=O

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Specifications

PubChem CID	161742
CAS	13521-83-0
Molecular Weight (g/mol)	176.08
MDL Number	MFCD00070497
SMILES	[Na+].[Na+].[O-]C(=O)CCCC([O-])=O
Synonym	Glutaric Acid Disodium Salt
IUPAC Name	disodium pentanedioate
InChI Key	ZUDYLZOBWIAUPC-UHFFFAOYSA-L
Molecular Formula	C5H6Na2O4

4,226

Perfluorokerosene (Low boiling) [for Mass spectrometry], TCI America™

MDL Number: MFCD00132835

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Specifications

MDL Number	MFCD00132835

4,227

Triisopropanolamine Borate 98.0+%, TCI America™

CAS: 101-00-8 Molecular Formula: C9H18BNO3 Molecular Weight (g/mol): 199.057 MDL Number: MFCD03791298 InChI Key: IWKGJTDSJPLUCE-UHFFFAOYSA-N Synonym: triisopropanolamine cyclic borate,3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo 3.3.3 undecane,borester 21,triisopropanolamine borate,boric acid, tris 1-amino-2-propyl ester,2-propanol, 1,1',1-nitrilotri-, cyclic borate,3,7,10-trimethyl-4,6,11-trioxa-1-aza-5-borabicyclo 3.3.3 undecane,2,8,9-trioxa-5-aza-1-borabicyclo 3.3.3 undecane, 3,7,10-trimethyl,triisopropanolamineborate PubChem CID: 225550 IUPAC Name: 3,7,10-trimethyl-4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane SMILES: B12OC(CN(CC(O1)C)CC(O2)C)C

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Specifications

PubChem CID	225550
CAS	101-00-8
Molecular Weight (g/mol)	199.057
MDL Number	MFCD03791298
SMILES	B12OC(CN(CC(O1)C)CC(O2)C)C
Synonym	triisopropanolamine cyclic borate,3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo 3.3.3 undecane,borester 21,triisopropanolamine borate,boric acid, tris 1-amino-2-propyl ester,2-propanol, 1,1',1-nitrilotri-, cyclic borate,3,7,10-trimethyl-4,6,11-trioxa-1-aza-5-borabicyclo 3.3.3 undecane,2,8,9-trioxa-5-aza-1-borabicyclo 3.3.3 undecane, 3,7,10-trimethyl,triisopropanolamineborate
IUPAC Name	3,7,10-trimethyl-4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane
InChI Key	IWKGJTDSJPLUCE-UHFFFAOYSA-N
Molecular Formula	C9H18BNO3

4,228

Hecogenin Acetate 90.0+%, TCI America™

CAS: 915-35-5 Molecular Formula: C29H44O5 Molecular Weight (g/mol): 472.67 MDL Number: MFCD00005088 InChI Key: CVKZWRTYHCDWTE-UHFFFAOYNA-N PubChem CID: 101906 IUPAC Name: 5,7',9',13'-tetramethyl-10'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-16'-yl acetate SMILES: CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC(C)=O)OC11CCC(C)CO1

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Specifications

PubChem CID	101906
CAS	915-35-5
Molecular Weight (g/mol)	472.67
MDL Number	MFCD00005088
SMILES	CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC(C)=O)OC11CCC(C)CO1
IUPAC Name	5,7',9',13'-tetramethyl-10'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-16'-yl acetate
InChI Key	CVKZWRTYHCDWTE-UHFFFAOYNA-N
Molecular Formula	C29H44O5

4,229

N-(2-Carboxyethyl)iminodiacetic Acid 98.0+%, TCI America™

CAS: 6245-75-6 Molecular Formula: C7H11NO6 Molecular Weight (g/mol): 205.17 MDL Number: MFCD00059634 InChI Key: UWRBFYBQPCJRRL-UHFFFAOYSA-N Synonym: n-2-carboxyethyl iminodiacetic acid,beta-alanine diacetic acid,unii-kou355f9z2,n,n-bis carboxymethyl-,a-alanine,.beta.-alanine, n,n-bis carboxymethyl,3-bis carboxymethyl amino propanoic acid,n-2-carboxyethyl dimethylsulfonium chloride,n,n-bis carboxymethyl-beta-alanine,beta-alaninediacetic acid,nitrilodiacetic-propionic acid PubChem CID: 535795 IUPAC Name: 3-[bis(carboxymethyl)amino]propanoic acid SMILES: OC(=O)CCN(CC(O)=O)CC(O)=O

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Specifications

PubChem CID	535795
CAS	6245-75-6
Molecular Weight (g/mol)	205.17
MDL Number	MFCD00059634
SMILES	OC(=O)CCN(CC(O)=O)CC(O)=O
Synonym	n-2-carboxyethyl iminodiacetic acid,beta-alanine diacetic acid,unii-kou355f9z2,n,n-bis carboxymethyl-,a-alanine,.beta.-alanine, n,n-bis carboxymethyl,3-bis carboxymethyl amino propanoic acid,n-2-carboxyethyl dimethylsulfonium chloride,n,n-bis carboxymethyl-beta-alanine,beta-alaninediacetic acid,nitrilodiacetic-propionic acid
IUPAC Name	3-[bis(carboxymethyl)amino]propanoic acid
InChI Key	UWRBFYBQPCJRRL-UHFFFAOYSA-N
Molecular Formula	C7H11NO6

4,230

N-Acetyl-S-benzyl-DL-cysteine 98.0+%, TCI America™

CAS: 19538-71-7 Molecular Formula: C12H15NO3S Molecular Weight (g/mol): 253.32 MDL Number: MFCD00067460 InChI Key: BJUXDERNWYKSIQ-UHFFFAOYNA-N Synonym: n-acetyl-s-benzyl-dl-cysteine,n-acetyl-s-benzylcysteine,2-acetamido-3-benzylthio propanoic acid,dl-benzylmercapturic acid,3-benzylsulfanyl-2-acetamidopropanoic acid,cysteine,n-acetyl-s-phenylmethyl,acmc-209dmt,ac-dl-cys bzl-oh,enamine_000211,acmc-1bp0n PubChem CID: 561045 IUPAC Name: 3-(benzylsulfanyl)-2-acetamidopropanoic acid SMILES: CC(=O)NC(CSCC1=CC=CC=C1)C(O)=O

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Specifications

PubChem CID	561045
CAS	19538-71-7
Molecular Weight (g/mol)	253.32
MDL Number	MFCD00067460
SMILES	CC(=O)NC(CSCC1=CC=CC=C1)C(O)=O
Synonym	n-acetyl-s-benzyl-dl-cysteine,n-acetyl-s-benzylcysteine,2-acetamido-3-benzylthio propanoic acid,dl-benzylmercapturic acid,3-benzylsulfanyl-2-acetamidopropanoic acid,cysteine,n-acetyl-s-phenylmethyl,acmc-209dmt,ac-dl-cys bzl-oh,enamine_000211,acmc-1bp0n
IUPAC Name	3-(benzylsulfanyl)-2-acetamidopropanoic acid
InChI Key	BJUXDERNWYKSIQ-UHFFFAOYNA-N
Molecular Formula	C12H15NO3S

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