Unclassified Organic Compounds

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

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4,156 – 4,170 of 165,831 results

4,156

2,3-Dimethylhexane 94.0+%, TCI America™

CAS: 584-94-1 Molecular Formula: C8H18 Molecular Weight (g/mol): 114.23 MDL Number: MFCD00039951 InChI Key: JXPOLSKBTUYKJB-UHFFFAOYNA-N PubChem CID: 11447 IUPAC Name: 2,3-dimethylhexane SMILES: CCCC(C)C(C)C

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PubChem CID	11447
CAS	584-94-1
Molecular Weight (g/mol)	114.23
MDL Number	MFCD00039951
SMILES	CCCC(C)C(C)C
IUPAC Name	2,3-dimethylhexane
InChI Key	JXPOLSKBTUYKJB-UHFFFAOYNA-N
Molecular Formula	C8H18

4,157

Quinine Hydrochloride Dihydrate 98.0+%, TCI America™

CAS: 6119-47-7 Molecular Formula: C20H29ClN2O4 Molecular Weight (g/mol): 396.91 MDL Number: MFCD00151248 InChI Key: MPQKYZPYCSTMEI-VQYSEXPNNA-N Synonym: quinine hcl dihydrate PubChem CID: 124080947 IUPAC Name: (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol dihydrate hydrochloride SMILES: O.O.Cl.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C

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Specifications

PubChem CID	124080947
CAS	6119-47-7
Molecular Weight (g/mol)	396.91
MDL Number	MFCD00151248
SMILES	O.O.Cl.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
Synonym	quinine hcl dihydrate
IUPAC Name	(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol dihydrate hydrochloride
InChI Key	MPQKYZPYCSTMEI-VQYSEXPNNA-N
Molecular Formula	C20H29ClN2O4

4,158

4-Ethyl-4-methylmorpholinium Bromide 97.0+%, TCI America™

CAS: 65756-41-4 Molecular Formula: C7H16BrNO Molecular Weight (g/mol): 210.115 MDL Number: MFCD03095385 InChI Key: ACQZVWGQFXXTIX-UHFFFAOYSA-M PubChem CID: 103453 IUPAC Name: 4-ethyl-4-methylmorpholin-4-ium;bromide SMILES: CC[N+]1(CCOCC1)C.[Br-]

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Specifications

PubChem CID	103453
CAS	65756-41-4
Molecular Weight (g/mol)	210.115
MDL Number	MFCD03095385
SMILES	CC[N+]1(CCOCC1)C.[Br-]
IUPAC Name	4-ethyl-4-methylmorpholin-4-ium;bromide
InChI Key	ACQZVWGQFXXTIX-UHFFFAOYSA-M
Molecular Formula	C7H16BrNO

4,159

Nonadecane 99.5+%, TCI America™

CAS: 629-92-5 Molecular Formula: C19H40 Molecular Weight (g/mol): 268.529 MDL Number: MFCD00009012 InChI Key: LQERIDTXQFOHKA-UHFFFAOYSA-N Synonym: n-nonadecane,nonadekan,unii-nmy21d3y5t,nmy21d3y5t,unknown branched fragment of phospholipid,ch3-ch2 17-ch3,unknown phospholipid fragment,nonadecane, analytical standard,upl PubChem CID: 12401 ChEBI: CHEBI:32927 IUPAC Name: nonadecane SMILES: CCCCCCCCCCCCCCCCCCC

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Specifications

PubChem CID	12401
CAS	629-92-5
Molecular Weight (g/mol)	268.529
ChEBI	CHEBI:32927
MDL Number	MFCD00009012
SMILES	CCCCCCCCCCCCCCCCCCC
Synonym	n-nonadecane,nonadekan,unii-nmy21d3y5t,nmy21d3y5t,unknown branched fragment of phospholipid,ch3-ch2 17-ch3,unknown phospholipid fragment,nonadecane, analytical standard,upl
IUPAC Name	nonadecane
InChI Key	LQERIDTXQFOHKA-UHFFFAOYSA-N
Molecular Formula	C19H40

4,160

Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers) 95.0+%, TCI America™

CAS: 3419-32-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 InChI Key: CFQIYLYEYJYZEO-UHFFFAOYSA-N Synonym: Ethyl 3-Methyl-5-cyclohexen-1-one-2-carboxylate, 6-Methyl-2-oxo-3-cyclohexene-1-carboxylic Acid Ethyl Ester PubChem CID: 549414 IUPAC Name: ethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate SMILES: CCOC(=O)C1C(CC=CC1=O)C

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Specifications

PubChem CID	549414
CAS	3419-32-7
Molecular Weight (g/mol)	182.219
SMILES	CCOC(=O)C1C(CC=CC1=O)C
Synonym	Ethyl 3-Methyl-5-cyclohexen-1-one-2-carboxylate, 6-Methyl-2-oxo-3-cyclohexene-1-carboxylic Acid Ethyl Ester
IUPAC Name	ethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate
InChI Key	CFQIYLYEYJYZEO-UHFFFAOYSA-N
Molecular Formula	C10H14O3

4,161

Copper(II) on Chitosan (Cu 1.3mmol/g), TCI America™

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4,162

N-Carbobenzoxy-D-tyrosine 98.0+%, TCI America™

CAS: 64205-12-5 Molecular Formula: C17H17NO5 Molecular Weight (g/mol): 315.325 MDL Number: MFCD00063031 InChI Key: MCRMUCXATQAAMN-OAHLLOKOSA-N Synonym: N-Cbz-D-tyrosine, Z-D-Tyr-OH PubChem CID: 736160 IUPAC Name: (2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid SMILES: C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

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Specifications

PubChem CID	736160
CAS	64205-12-5
Molecular Weight (g/mol)	315.325
MDL Number	MFCD00063031
SMILES	C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O
Synonym	N-Cbz-D-tyrosine, Z-D-Tyr-OH
IUPAC Name	(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI Key	MCRMUCXATQAAMN-OAHLLOKOSA-N
Molecular Formula	C17H17NO5

4,163

Vinylferrocene 97.0+%, TCI America™

CAS: 1271-51-8 Molecular Formula: C12H12Fe Molecular Weight (g/mol): 212.07 MDL Number: MFCD00001434 InChI Key: VGBAECKRTWHKHC-UHFFFAOYSA-N IUPAC Name: Vinylferrocene SMILES: [Fe].c1cccc1.C=Cc1cccc1

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Specifications

CAS	1271-51-8
Molecular Weight (g/mol)	212.07
MDL Number	MFCD00001434
SMILES	[Fe].c1cccc1.C=Cc1cccc1
IUPAC Name	Vinylferrocene
InChI Key	VGBAECKRTWHKHC-UHFFFAOYSA-N
Molecular Formula	C12H12Fe

4,164

Crocin (Gardenia Fruits Extract), TCI America™

CAS: 42553-65-1 Molecular Formula: C44H64O24 Molecular Weight (g/mol): 976.972 MDL Number: MFCD00017495 InChI Key: SEBIKDIMAPSUBY-AWBRESQISA-N Synonym: Crocetin Digentiobiosyl Ester PubChem CID: 133562570 IUPAC Name: 1-O-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E, SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O

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Specifications

PubChem CID	133562570
CAS	42553-65-1
Molecular Weight (g/mol)	976.972
MDL Number	MFCD00017495
SMILES	CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O
Synonym	Crocetin Digentiobiosyl Ester
IUPAC Name	1-O-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 16-O-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,
InChI Key	SEBIKDIMAPSUBY-AWBRESQISA-N
Molecular Formula	C44H64O24

4,165

Tetrabutylphosphonium Benzotriazolate 96.0+%, TCI America™

CAS: 109348-55-2 Molecular Formula: C22H40N3P MDL Number: MFCD04038148

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Specifications

CAS	109348-55-2
MDL Number	MFCD04038148
Molecular Formula	C22H40N3P

4,166

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartic Acid 98.0+%, TCI America™

CAS: 119062-05-4 Molecular Formula: C19H17NO6 Molecular Weight (g/mol): 355.346 MDL Number: MFCD00237654 InChI Key: KSDTXRUIZMTBNV-INIZCTEOSA-N Synonym: fmoc-asp-oh,fmoc-l-aspartic acid,n-fmoc-l-aspartic acid,fmoc-l-asp-oh,fmoc-aspartic acid,n-9h-fluoren-9-ylmethoxy carbonyl-l-aspartic acid,s-2-9h-fluoren-9-yl methoxy carbonylamino succinic acid,s-2-9h-fluoren-9-yl methoxy carbonyl amino succinic acid,aspartic acid, n-9h-fluoren-9-ylmethoxy carbonyl,n-9-fluorenylmethoxycarbonyl-l-aspartic acid PubChem CID: 7019016 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C(=O)O

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Specifications

PubChem CID	7019016
CAS	119062-05-4
Molecular Weight (g/mol)	355.346
MDL Number	MFCD00237654
SMILES	C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C(=O)O
Synonym	fmoc-asp-oh,fmoc-l-aspartic acid,n-fmoc-l-aspartic acid,fmoc-l-asp-oh,fmoc-aspartic acid,n-9h-fluoren-9-ylmethoxy carbonyl-l-aspartic acid,s-2-9h-fluoren-9-yl methoxy carbonylamino succinic acid,s-2-9h-fluoren-9-yl methoxy carbonyl amino succinic acid,aspartic acid, n-9h-fluoren-9-ylmethoxy carbonyl,n-9-fluorenylmethoxycarbonyl-l-aspartic acid
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioic acid
InChI Key	KSDTXRUIZMTBNV-INIZCTEOSA-N
Molecular Formula	C19H17NO6

4,167

O-tert-Butyl-L-threonine tert-Butyl Ester 96.0+%, TCI America™

CAS: 5854-78-4 Molecular Formula: C12H25NO3 Molecular Weight (g/mol): 231.34 MDL Number: MFCD00077109 InChI Key: PPDIUNOGUIAFLV-UHFFFAOYNA-N Synonym: H-Thr(tBu)-OtBu PubChem CID: 7018832 IUPAC Name: tert-butyl 2-amino-3-(tert-butoxy)butanoate SMILES: CC(OC(C)(C)C)C(N)C(=O)OC(C)(C)C

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Specifications

PubChem CID	7018832
CAS	5854-78-4
Molecular Weight (g/mol)	231.34
MDL Number	MFCD00077109
SMILES	CC(OC(C)(C)C)C(N)C(=O)OC(C)(C)C
Synonym	H-Thr(tBu)-OtBu
IUPAC Name	tert-butyl 2-amino-3-(tert-butoxy)butanoate
InChI Key	PPDIUNOGUIAFLV-UHFFFAOYNA-N
Molecular Formula	C12H25NO3

4,168

4-Nitro-1,2,3,6,7,8-hexahydropyrene 98.0+%, TCI America™

CAS: 88535-47-1 Molecular Formula: C16H15NO2 Molecular Weight (g/mol): 253.301 MDL Number: MFCD27964325 InChI Key: KVZSMBRWPWEQHJ-UHFFFAOYSA-N PubChem CID: 184879 IUPAC Name: 4-nitro-1,2,3,6,7,8-hexahydropyrene SMILES: C1CC2=C3C(=CC(=C4C3=C(CCC4)C=C2)[N+](=O)[O-])C1

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Specifications

PubChem CID	184879
CAS	88535-47-1
Molecular Weight (g/mol)	253.301
MDL Number	MFCD27964325
SMILES	C1CC2=C3C(=CC(=C4C3=C(CCC4)C=C2)[N+](=O)[O-])C1
IUPAC Name	4-nitro-1,2,3,6,7,8-hexahydropyrene
InChI Key	KVZSMBRWPWEQHJ-UHFFFAOYSA-N
Molecular Formula	C16H15NO2

4,169

Icaritin 96.0+%, TCI America™

CAS: 118525-40-9 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD22422519 InChI Key: TUUXBSASAQJECY-UHFFFAOYSA-N Synonym: 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one PubChem CID: 5318980 IUPAC Name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1

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Specifications

PubChem CID	5318980
CAS	118525-40-9
Molecular Weight (g/mol)	368.39
MDL Number	MFCD22422519
SMILES	COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1
Synonym	3,5,7-Trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
IUPAC Name	3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
InChI Key	TUUXBSASAQJECY-UHFFFAOYSA-N
Molecular Formula	C21H20O6

4,170

Ru(OAc)2[(R)-binap], TCI America™

CAS: 325146-81-4 Molecular Formula: C48H40O4P2Ru Molecular Weight (g/mol): 843.862 MDL Number: MFCD09753020 InChI Key: XANQJWCSQJDBEA-UHFFFAOYSA-N Synonym: Diacetato[(R)-(+)-2,2′C-bis(diphenylphosphino)-1,1′C-binaphthyl]ruthenium(II) PubChem CID: 118705203 IUPAC Name: acetic acid;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium SMILES: CC(=O)O.CC(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Ru]

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Specifications

PubChem CID	118705203
CAS	325146-81-4
Molecular Weight (g/mol)	843.862
MDL Number	MFCD09753020
SMILES	CC(=O)O.CC(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Ru]
Synonym	Diacetato[(R)-(+)-2,2′C-bis(diphenylphosphino)-1,1′C-binaphthyl]ruthenium(II)
IUPAC Name	acetic acid;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
InChI Key	XANQJWCSQJDBEA-UHFFFAOYSA-N
Molecular Formula	C48H40O4P2Ru

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