Unclassified Organic Compounds

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

106 – 120 of 114,981 results

106

L-Methioninamide hydrochloride, 98%

CAS: 16120-92-6 Molecular Formula: C5H13ClN2OS Molecular Weight (g/mol): 184.68 MDL Number: MFCD00039084 InChI Key: PWCBMJHINDTXGV-UHFFFAOYNA-N Synonym: l-methioninamide hydrochloride,h-met-nh2 hcl,h-met-nh2.hcl,s-2-amino-4-methylthio butanamide hydrochloride,2s-2-amino-4-methylthiobutanamide, chloride,h-met-nh hcl,h-met-nh2??hcl,methioninamide hydrochloride,h-l-met-nh2 hydrochloride,methionine amide hydrochloride PubChem CID: 18531008 SMILES: Cl.CSCCC(N)C(N)=O

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Specifications

PubChem CID	18531008
CAS	16120-92-6
Molecular Weight (g/mol)	184.68
MDL Number	MFCD00039084
SMILES	Cl.CSCCC(N)C(N)=O
Synonym	l-methioninamide hydrochloride,h-met-nh2 hcl,h-met-nh2.hcl,s-2-amino-4-methylthio butanamide hydrochloride,2s-2-amino-4-methylthiobutanamide, chloride,h-met-nh hcl,h-met-nh2??hcl,methioninamide hydrochloride,h-l-met-nh2 hydrochloride,methionine amide hydrochloride
InChI Key	PWCBMJHINDTXGV-UHFFFAOYNA-N
Molecular Formula	C5H13ClN2OS

107

Ethylenediaminetetraacetic acid disodium magnesium salt hydrate, 97%

CAS: 194491-32-2 MDL Number: MFCD00078217 InChI Key: AWNVVAMWLMUZOZ-UHFFFAOYSA-J IUPAC Name: magnesium(2+) disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate SMILES: [Na+].[Na+].[Mg++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O

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Specifications

CAS	194491-32-2
MDL Number	MFCD00078217
SMILES	[Na+].[Na+].[Mg++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
IUPAC Name	magnesium(2+) disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate
InChI Key	AWNVVAMWLMUZOZ-UHFFFAOYSA-J

108

Trimethylsulfoxonium chloride, 97%

CAS: 5034-06-0 Molecular Formula: C₃H₉ClOS Molecular Weight (g/mol): 128.62 MDL Number: MFCD00011898 InChI Key: KQYWHJICYXXDSQ-UHFFFAOYSA-M Synonym: trimethylsulfoxonium chloride,trimethyloxosulfonium chloride,trimethylsulfonium chloride oxide,trimethyloxosulphonium chloride,sulfonium, trimethyl-, chloride, s-oxide,sulfoxonium, trimethyl-, chloride,sulfoxonium, trimethyl-, chloride 8ci,9ci,trimethyl oxo-??-sulfanylium chloride,c3h9os.cl,sulfoxonium, chloride PubChem CID: 197819 SMILES: C[S+](=O)(C)C.[Cl-]

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Specifications

PubChem CID	197819
CAS	5034-06-0
Molecular Weight (g/mol)	128.62
MDL Number	MFCD00011898
SMILES	C[S+](=O)(C)C.[Cl-]
Synonym	trimethylsulfoxonium chloride,trimethyloxosulfonium chloride,trimethylsulfonium chloride oxide,trimethyloxosulphonium chloride,sulfonium, trimethyl-, chloride, s-oxide,sulfoxonium, trimethyl-, chloride,sulfoxonium, trimethyl-, chloride 8ci,9ci,trimethyl oxo-??-sulfanylium chloride,c3h9os.cl,sulfoxonium, chloride
InChI Key	KQYWHJICYXXDSQ-UHFFFAOYSA-M
Molecular Formula	C₃H₉ClOS

109

Zirconium(IV) ethoxide, 99%

CAS: 18267-08-8 Molecular Formula: C2H5OZr Molecular Weight (g/mol): 136.28 MDL Number: MFCD00015654,MFCD00015654 InChI Key: VCYRFVPNTBNCLW-UHFFFAOYSA-N Synonym: zirconium iv ethoxide PubChem CID: 122130910 IUPAC Name: ethanolate;zirconium(4+) SMILES: [Zr+4].CC[O-]

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Specifications

PubChem CID	122130910
CAS	18267-08-8
Molecular Weight (g/mol)	136.28
MDL Number	MFCD00015654,MFCD00015654
SMILES	[Zr+4].CC[O-]
Synonym	zirconium iv ethoxide
IUPAC Name	ethanolate;zirconium(4+)
InChI Key	VCYRFVPNTBNCLW-UHFFFAOYSA-N
Molecular Formula	C2H5OZr

110

Bis(triphenylphosphine)palladium(II) diacetate, 99%

CAS: 14588-08-0 Molecular Formula: C40H36O4P2Pd Molecular Weight (g/mol): 749.09 MDL Number: MFCD00010013 InChI Key: YOUIUHDWQIUKAO-UHFFFAOYSA-L Synonym: bis triphenylphosphinepalladium acetate PubChem CID: 73357379 IUPAC Name: palladium(2+);triphenylphosphanium;diacetate SMILES: CC(=O)O[Pd++]OC(C)=O.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	73357379
CAS	14588-08-0
Molecular Weight (g/mol)	749.09
MDL Number	MFCD00010013
SMILES	CC(=O)O[Pd++]OC(C)=O.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	bis triphenylphosphinepalladium acetate
IUPAC Name	palladium(2+);triphenylphosphanium;diacetate
InChI Key	YOUIUHDWQIUKAO-UHFFFAOYSA-L
Molecular Formula	C40H36O4P2Pd

111

N-Acetyl-L-tyrosine ethyl ester monohydrate, 99%

CAS: 36546-50-6 Molecular Formula: C13H19NO5 Molecular Weight (g/mol): 269.30 MDL Number: MFCD00149093 InChI Key: YWAVLHZJMWEYTA-HVPILOLGNA-N Synonym: n-acetyl-l-tyrosine ethyl ester monohydrate,ethyl n-acetyl-l-tyrosinate hydrate,ac-tyr-oet.h2o,atee,ethyl 2s-2-acetamido-3-4-hydroxyphenyl propanoate hydrate,n-acetyl-l-tyrosineethylestermonohydrate,n-acetyltyrosine ethyl ester monohydrate,ksc491m4n,n-acetyl tyrosine ethyl ester mono hydrate,acetyl-l-tyrosine ethyl ester hydrate PubChem CID: 2723594 IUPAC Name: ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate SMILES: O.CCOC(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O

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Specifications

PubChem CID	2723594
CAS	36546-50-6
Molecular Weight (g/mol)	269.30
MDL Number	MFCD00149093
SMILES	O.CCOC(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O
Synonym	n-acetyl-l-tyrosine ethyl ester monohydrate,ethyl n-acetyl-l-tyrosinate hydrate,ac-tyr-oet.h2o,atee,ethyl 2s-2-acetamido-3-4-hydroxyphenyl propanoate hydrate,n-acetyl-l-tyrosineethylestermonohydrate,n-acetyltyrosine ethyl ester monohydrate,ksc491m4n,n-acetyl tyrosine ethyl ester mono hydrate,acetyl-l-tyrosine ethyl ester hydrate
IUPAC Name	ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
InChI Key	YWAVLHZJMWEYTA-HVPILOLGNA-N
Molecular Formula	C13H19NO5

112

Phenylphosphinic acid, 99%, Thermo Scientific™

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113

3-Hydroxy-2-methyl-4-pyrone, 99%

CAS: 118-71-8 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006578 InChI Key: XPCTZQVDEJYUGT-UHFFFAOYSA-N Synonym: maltol,3-hydroxy-2-methyl-4-pyrone,3-hydroxy-2-methyl-4h-pyran-4-one,larixinic acid,talmon,palatone,vetol,larixic acid,corps praline,4h-pyran-4-one, 3-hydroxy-2-methyl PubChem CID: 8369 ChEBI: CHEBI:69438 SMILES: CC1=C(O)C(=O)C=CO1

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Specifications

PubChem CID	8369
CAS	118-71-8
Molecular Weight (g/mol)	126.11
ChEBI	CHEBI:69438
MDL Number	MFCD00006578
SMILES	CC1=C(O)C(=O)C=CO1
Synonym	maltol,3-hydroxy-2-methyl-4-pyrone,3-hydroxy-2-methyl-4h-pyran-4-one,larixinic acid,talmon,palatone,vetol,larixic acid,corps praline,4h-pyran-4-one, 3-hydroxy-2-methyl
InChI Key	XPCTZQVDEJYUGT-UHFFFAOYSA-N
Molecular Formula	C6H6O3

114

N-Methyliminodiacetic acid, 99%

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

115

Tropine, 98%

CAS: 120-29-6 Molecular Formula: C₈H₁₅NO Molecular Weight (g/mol): 141.21 MDL Number: MFCD00005551 InChI Key: CYHOMWAPJJPNMW-RNFRBKRXSA-N Synonym: tropine,1r,5r-8-methyl-8-azabicyclo 3.2.1 octan-3-ol,endo-8-methyl-8-azabicyclo 3.2.1 octan-3-ol,spectrum3_001840,1r,5r-8-methyl-8-azabicyclo 3.2.1 octan-3beta-ol PubChem CID: 6101956 IUPAC Name: (1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol SMILES: CN1C2CCC1CC(C2)O

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Specifications

PubChem CID	6101956
CAS	120-29-6
Molecular Weight (g/mol)	141.21
MDL Number	MFCD00005551
SMILES	CN1C2CCC1CC(C2)O
Synonym	tropine,1r,5r-8-methyl-8-azabicyclo 3.2.1 octan-3-ol,endo-8-methyl-8-azabicyclo 3.2.1 octan-3-ol,spectrum3_001840,1r,5r-8-methyl-8-azabicyclo 3.2.1 octan-3beta-ol
IUPAC Name	(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
InChI Key	CYHOMWAPJJPNMW-RNFRBKRXSA-N
Molecular Formula	C₈H₁₅NO

116

Cyclopentanone, 99+%, pure

CAS: 120-92-3 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00001409 InChI Key: BGTOWKSIORTVQH-UHFFFAOYSA-N Synonym: adipic ketone,ketocyclopentane,ketopentamethylene,adipinketon,dumasin,cyclopentanon,oxocyclopentane,cyclopentan-1-one,unii-220w81tn3s,cyclopentyloxy PubChem CID: 8452 ChEBI: CHEBI:16486 IUPAC Name: cyclopentanone SMILES: O=C1CCCC1

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Specifications

PubChem CID	8452
CAS	120-92-3
Molecular Weight (g/mol)	84.12
ChEBI	CHEBI:16486
MDL Number	MFCD00001409
SMILES	O=C1CCCC1
Synonym	adipic ketone,ketocyclopentane,ketopentamethylene,adipinketon,dumasin,cyclopentanon,oxocyclopentane,cyclopentan-1-one,unii-220w81tn3s,cyclopentyloxy
IUPAC Name	cyclopentanone
InChI Key	BGTOWKSIORTVQH-UHFFFAOYSA-N
Molecular Formula	C5H8O

117

1,2-Cyclohexanedione, 98%

CAS: 765-87-7 Molecular Formula: C₆H₈O₂ Molecular Weight (g/mol): 112.13 InChI Key: OILAIQUEIWYQPH-UHFFFAOYSA-N Synonym: 1,2-cyclohexanedione,1,2-dioxocyclohexane,cyclohexanedione,1,2-cyclohexadione,cyclohexan-1,2-dione,ccris 6296,unii-75c1ovw0fj,75c1ovw0fj,1,2-cyclohexanedione,ketone form,dihydrocatechol PubChem CID: 13006 ChEBI: CHEBI:41674 IUPAC Name: cyclohexane-1,2-dione SMILES: C1CCC(=O)C(=O)C1

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Specifications

PubChem CID	13006
CAS	765-87-7
Molecular Weight (g/mol)	112.13
ChEBI	CHEBI:41674
SMILES	C1CCC(=O)C(=O)C1
Synonym	1,2-cyclohexanedione,1,2-dioxocyclohexane,cyclohexanedione,1,2-cyclohexadione,cyclohexan-1,2-dione,ccris 6296,unii-75c1ovw0fj,75c1ovw0fj,1,2-cyclohexanedione,ketone form,dihydrocatechol
IUPAC Name	cyclohexane-1,2-dione
InChI Key	OILAIQUEIWYQPH-UHFFFAOYSA-N
Molecular Formula	C₆H₈O₂

118

2,6-Dimethyl-gamma-pyrone, 99%

CAS: 1004-36-0 Molecular Formula: C₇H₈O₂ Molecular Weight (g/mol): 124.14 MDL Number: MFCD00006579 InChI Key: VSYFZULSKMFUJJ-UHFFFAOYSA-N Synonym: 2,6-dimethyl-4h-pyran-4-one,2,6-dimethyl-4-pyrone,2,6-dimethyl-gamma-pyrone,2,6-dimethyl-4-pyranone,4h-pyran-4-one, 2,6-dimethyl,gamma-2,6-dimethylpyrone,unii-v2d262mf0l,2,6-dimethyl-pyran-4-one,2,6-dimethyl-.gamma.-pyrone,ccris 3601 PubChem CID: 13862 IUPAC Name: 2,6-dimethylpyran-4-one SMILES: CC1=CC(=O)C=C(O1)C

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Specifications

PubChem CID	13862
CAS	1004-36-0
Molecular Weight (g/mol)	124.14
MDL Number	MFCD00006579
SMILES	CC1=CC(=O)C=C(O1)C
Synonym	2,6-dimethyl-4h-pyran-4-one,2,6-dimethyl-4-pyrone,2,6-dimethyl-gamma-pyrone,2,6-dimethyl-4-pyranone,4h-pyran-4-one, 2,6-dimethyl,gamma-2,6-dimethylpyrone,unii-v2d262mf0l,2,6-dimethyl-pyran-4-one,2,6-dimethyl-.gamma.-pyrone,ccris 3601
IUPAC Name	2,6-dimethylpyran-4-one
InChI Key	VSYFZULSKMFUJJ-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₂

119

Fumaric acid monoethyl ester, 95%

CAS: 2459-05-4 Molecular Formula: C₆H₈O₄ Molecular Weight (g/mol): 144.13 MDL Number: MFCD00002699 InChI Key: XLYMOEINVGRTEX-ONEGZZNKSA-N Synonym: Monoethylefumarate IUPAC Name: (2E)-4-ethoxy-4-oxobut-2-enoic acid SMILES: CCOC(=O)\C=C\C(O)=O

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Specifications

CAS	2459-05-4
Molecular Weight (g/mol)	144.13
MDL Number	MFCD00002699
SMILES	CCOC(=O)\C=C\C(O)=O
Synonym	Monoethylefumarate
IUPAC Name	(2E)-4-ethoxy-4-oxobut-2-enoic acid
InChI Key	XLYMOEINVGRTEX-ONEGZZNKSA-N
Molecular Formula	C₆H₈O₄

120

Betaine hydrochloride, 99%, extra pure, specified according to the requirements of USP

CAS: 590-46-5 Molecular Formula: C5H12ClNO2 Molecular Weight (g/mol): 153.61 MDL Number: MFCD00011903 InChI Key: HOPSCVCBEOCPJZ-UHFFFAOYSA-N Synonym: betaine hydrochloride,betaine chloride,pluchine,acidogeno,acipepsol,achylin,acidin,acinorm,acidol,acidine PubChem CID: 11545 IUPAC Name: carboxymethyl(trimethyl)azanium;chloride SMILES: [Cl-].C[N+](C)(C)CC(O)=O

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Specifications

PubChem CID	11545
CAS	590-46-5
Molecular Weight (g/mol)	153.61
MDL Number	MFCD00011903
SMILES	[Cl-].C[N+](C)(C)CC(O)=O
Synonym	betaine hydrochloride,betaine chloride,pluchine,acidogeno,acipepsol,achylin,acidin,acinorm,acidol,acidine
IUPAC Name	carboxymethyl(trimethyl)azanium;chloride
InChI Key	HOPSCVCBEOCPJZ-UHFFFAOYSA-N
Molecular Formula	C5H12ClNO2

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