Unclassified Organic Compounds

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

106 – 120 of 114,981 results

106

Thermo Scientific Chemicals Ciclopirox olamine

CAS: 41621-49-2 Molecular Formula: C14H24N2O3 Molecular Weight (g/mol): 268.36 InChI Key: MBRHNTMUYWQHMR-UHFFFAOYSA-N IUPAC Name: 2-aminoethan-1-ol; 6-cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-one SMILES: NCCO.CC1=CC(=O)N(O)C(=C1)C1CCCCC1

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Specifications

CAS	41621-49-2
Molecular Weight (g/mol)	268.36
SMILES	NCCO.CC1=CC(=O)N(O)C(=C1)C1CCCCC1
IUPAC Name	2-aminoethan-1-ol; 6-cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-one
InChI Key	MBRHNTMUYWQHMR-UHFFFAOYSA-N
Molecular Formula	C14H24N2O3

107

Thermo Scientific Chemicals Lupeol

CAS: 545-47-1 Molecular Formula: C30H50O Molecular Weight (g/mol): 426.73 MDL Number: MFCD00017351 InChI Key: MQYXUWHLBZFQQO-JGGBMTAGSA-N IUPAC Name: (1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol SMILES: CC(=C)[C@@H]1CC[C@]2(C)CCC3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12

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Specifications

CAS	545-47-1
Molecular Weight (g/mol)	426.73
MDL Number	MFCD00017351
SMILES	CC(=C)[C@@H]1CC[C@]2(C)CCC3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
IUPAC Name	(1R,3aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
InChI Key	MQYXUWHLBZFQQO-JGGBMTAGSA-N
Molecular Formula	C30H50O

108

Sorafenib tosylate

CAS: 475207-59-1 Molecular Formula: C28H24ClF3N4O6S Molecular Weight (g/mol): 637.03 InChI Key: IVDHYUQIDRJSTI-UHFFFAOYSA-N IUPAC Name: 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide; 4-methylbenzene-1-sulfonic acid SMILES: CC1=CC=C(C=C1)S(O)(=O)=O.CNC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1

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Specifications

CAS	475207-59-1
Molecular Weight (g/mol)	637.03
SMILES	CC1=CC=C(C=C1)S(O)(=O)=O.CNC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1
IUPAC Name	4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide; 4-methylbenzene-1-sulfonic acid
InChI Key	IVDHYUQIDRJSTI-UHFFFAOYSA-N
Molecular Formula	C28H24ClF3N4O6S

109

1-(tert-Butoxycarbonyl)-2-pyrrolidinone, 97%

CAS: 85909-08-6 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.22 InChI Key: GJJYYMXBCYYXPQ-UHFFFAOYSA-N IUPAC Name: tert-butyl 2-oxopyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC1=O

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Specifications

CAS	85909-08-6
Molecular Weight (g/mol)	185.22
SMILES	CC(C)(C)OC(=O)N1CCCC1=O
IUPAC Name	tert-butyl 2-oxopyrrolidine-1-carboxylate
InChI Key	GJJYYMXBCYYXPQ-UHFFFAOYSA-N
Molecular Formula	C9H15NO3

110

3-Methyl-1,2-cyclopentanedione, 99%

CAS: 765-70-8 Molecular Formula: C₆H₈O₂ Molecular Weight (g/mol): 112.13 MDL Number: MFCD00001417 InChI Key: OACYKCIZDVVNJL-UHFFFAOYSA-N Synonym: 3-methyl-1,2-cyclopentanedione,1,2-cyclopentanedione, 3-methyl,methylcyclopentenolone diketo form,fema no. 2700,methylcyclopentenolone natural,kentonarome,benzil-related compound, 45,3-methyl-1,2-cyclopentanedione maple lactone,maple lactone mcp,methyl-cyclopentenolone PubChem CID: 61209 IUPAC Name: 3-methylcyclopentane-1,2-dione SMILES: CC1CCC(=O)C1=O

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Specifications

PubChem CID	61209
CAS	765-70-8
Molecular Weight (g/mol)	112.13
MDL Number	MFCD00001417
SMILES	CC1CCC(=O)C1=O
Synonym	3-methyl-1,2-cyclopentanedione,1,2-cyclopentanedione, 3-methyl,methylcyclopentenolone diketo form,fema no. 2700,methylcyclopentenolone natural,kentonarome,benzil-related compound, 45,3-methyl-1,2-cyclopentanedione maple lactone,maple lactone mcp,methyl-cyclopentenolone
IUPAC Name	3-methylcyclopentane-1,2-dione
InChI Key	OACYKCIZDVVNJL-UHFFFAOYSA-N
Molecular Formula	C₆H₈O₂

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

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

Pricing & Availability
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

113

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

114

(S)-(-)-α-Amino-γ-butyrolactone hydrobromide, 99%, Thermo Scientific Chemicals

CAS: 15295-77-9 Molecular Formula: C4H8BrNO2 Molecular Weight (g/mol): 182.02 MDL Number: MFCD00012723,MFCD00674493 InChI Key: MKLNTBLOABOJFZ-UHFFFAOYNA-N Synonym: s-3-aminodihydrofuran-2 3h-one hydrobromide,s---alpha-amino-gamma-butyrolactone hydrobromide,l-homoserine lactone hydrobromide,s-2-amino-4-butyrolactone hydrobromide,l---alpha-amino-gamma-butyrolactone hydrobromide,2 3h-furanone, 3-aminodihydro-, hydrobromide, 3s,s---alpha-amino-gamma-butyrolactonehydrobromide,ksc924k2j,l---?-amino-?-butyrolactone hydrobromide,s---alpha-amino-gamma-butyrolactone hbr PubChem CID: 16213138 SMILES: Br.NC1CCOC1=O

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Specifications

PubChem CID	16213138
CAS	15295-77-9
Molecular Weight (g/mol)	182.02
MDL Number	MFCD00012723,MFCD00674493
SMILES	Br.NC1CCOC1=O
Synonym	s-3-aminodihydrofuran-2 3h-one hydrobromide,s---alpha-amino-gamma-butyrolactone hydrobromide,l-homoserine lactone hydrobromide,s-2-amino-4-butyrolactone hydrobromide,l---alpha-amino-gamma-butyrolactone hydrobromide,2 3h-furanone, 3-aminodihydro-, hydrobromide, 3s,s---alpha-amino-gamma-butyrolactonehydrobromide,ksc924k2j,l---?-amino-?-butyrolactone hydrobromide,s---alpha-amino-gamma-butyrolactone hbr
InChI Key	MKLNTBLOABOJFZ-UHFFFAOYNA-N
Molecular Formula	C4H8BrNO2

115

Dimethylammonium-dimethylcarbamate, ratio carbon dioxide/dimethylamine <2:1

CAS: 4137-10-4 Molecular Formula: C5H14N2O2 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00029888 InChI Key: JIYXHCMRGZVYMA-UHFFFAOYSA-N Synonym: DIMCARB IUPAC Name: dimethylamine; dimethylcarbamic acid SMILES: CNC.CN(C)C(O)=O

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Specifications

CAS	4137-10-4
Molecular Weight (g/mol)	134.18
MDL Number	MFCD00029888
SMILES	CNC.CN(C)C(O)=O
Synonym	DIMCARB
IUPAC Name	dimethylamine; dimethylcarbamic acid
InChI Key	JIYXHCMRGZVYMA-UHFFFAOYSA-N
Molecular Formula	C5H14N2O2

116

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

117

Methyl isocyanoacetate, 95%, Tech.

CAS: 39687-95-1 Molecular Formula: C4H7NO2 Molecular Weight (g/mol): 101.11 MDL Number: MFCD00000006 InChI Key: ZRGVTTCCASYOFN-UHFFFAOYSA-N Synonym: methyl isocyanoacetate,isocyanoacetic acid methyl ester,methylisocyanoacetate,isocyano-acetic acid methyl ester,acetic acid,2-isocyano-, methyl ester,methyl-isocyanoacetate,methyl isocyano-acetate,acmc-20akf8,methyl alpha-isocyanoacetate,ksc581o3d PubChem CID: 547815 IUPAC Name: methyl 2-isocyanoacetate SMILES: COC(=O)CN=C

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Specifications

PubChem CID	547815
CAS	39687-95-1
Molecular Weight (g/mol)	101.11
MDL Number	MFCD00000006
SMILES	COC(=O)CN=C
Synonym	methyl isocyanoacetate,isocyanoacetic acid methyl ester,methylisocyanoacetate,isocyano-acetic acid methyl ester,acetic acid,2-isocyano-, methyl ester,methyl-isocyanoacetate,methyl isocyano-acetate,acmc-20akf8,methyl alpha-isocyanoacetate,ksc581o3d
IUPAC Name	methyl 2-isocyanoacetate
InChI Key	ZRGVTTCCASYOFN-UHFFFAOYSA-N
Molecular Formula	C4H7NO2

118

Thermo Scientific Chemicals N-Carbobenzyloxy-L-phenylalanine, 99+%

CAS: 1161-13-3 Molecular Formula: C17H17NO4 Molecular Weight (g/mol): 299.33 MDL Number: MFCD00020418 InChI Key: RRONHWAVOYADJL-HNNXBMFYSA-N Synonym: z-phe-oh,n-cbz-l-phenylalanine,carbobenzoxyphenylalanine,cbz-phe-oh,n-carbobenzoxy-l-phenylalanine,carbobenzoxy-l-phenylalanine,z-l-phenylalanine,benzyloxycarbonyl phenylalanine,n-carbobenzyloxy-l-phenylalanine PubChem CID: 70878 IUPAC Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid SMILES: OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1

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Specifications

PubChem CID	70878
CAS	1161-13-3
Molecular Weight (g/mol)	299.33
MDL Number	MFCD00020418
SMILES	OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1
Synonym	z-phe-oh,n-cbz-l-phenylalanine,carbobenzoxyphenylalanine,cbz-phe-oh,n-carbobenzoxy-l-phenylalanine,carbobenzoxy-l-phenylalanine,z-l-phenylalanine,benzyloxycarbonyl phenylalanine,n-carbobenzyloxy-l-phenylalanine
IUPAC Name	(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
InChI Key	RRONHWAVOYADJL-HNNXBMFYSA-N
Molecular Formula	C17H17NO4

119

Thermo Scientific Chemicals N-Phenylglycine, 93%

CAS: 103-01-5 Molecular Formula: C8H8NNaO2 Molecular Weight (g/mol): 173.15 MDL Number: MFCD00014009 InChI Key: YEMGQZDWLLBIEY-UHFFFAOYSA-M Synonym: n-phenylglycine,anilinoacetic acid,2-phenylamino acetic acid,glycine, n-phenyl,glycine, phenyl,n-phenylglycin,n-phenylaminoacetic acid,phenylamino acetic acid,h-phenylgly-oh,n-phenyl glycine PubChem CID: 66025 ChEBI: CHEBI:55477 IUPAC Name: 2-anilinoacetic acid SMILES: [Na+].[O-]C(=O)CNC1=CC=CC=C1

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Specifications

PubChem CID	66025
CAS	103-01-5
Molecular Weight (g/mol)	173.15
ChEBI	CHEBI:55477
MDL Number	MFCD00014009
SMILES	[Na+].[O-]C(=O)CNC1=CC=CC=C1
Synonym	n-phenylglycine,anilinoacetic acid,2-phenylamino acetic acid,glycine, n-phenyl,glycine, phenyl,n-phenylglycin,n-phenylaminoacetic acid,phenylamino acetic acid,h-phenylgly-oh,n-phenyl glycine
IUPAC Name	2-anilinoacetic acid
InChI Key	YEMGQZDWLLBIEY-UHFFFAOYSA-M
Molecular Formula	C8H8NNaO2

120

(2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid, 98%

CAS: 118758-48-8 Molecular Formula: C₁₁H₁₃NO₂ Molecular Weight (g/mol): 191.23 MDL Number: MFCD00142984 InChI Key: VDEMEKSASUGYHM-QVDQXJPCSA-N Synonym: 3-phenyl-l-proline,3-phenyl proline,2s-3-phenylpyrrolidine-2-carboxylic acid PubChem CID: 133109024 IUPAC Name: (2R)-3-phenylpyrrolidine-2-carboxylic acid SMILES: C1CNC(C1C2=CC=CC=C2)C(=O)O

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Specifications

PubChem CID	133109024
CAS	118758-48-8
Molecular Weight (g/mol)	191.23
MDL Number	MFCD00142984
SMILES	C1CNC(C1C2=CC=CC=C2)C(=O)O
Synonym	3-phenyl-l-proline,3-phenyl proline,2s-3-phenylpyrrolidine-2-carboxylic acid
IUPAC Name	(2R)-3-phenylpyrrolidine-2-carboxylic acid
InChI Key	VDEMEKSASUGYHM-QVDQXJPCSA-N
Molecular Formula	C₁₁H₁₃NO₂

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