Unclassified Organic Compounds

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Thermo Scientific™ n-Butyl acetate, ACS Grade, 99.5+%

CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O

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Specifications

CAS	123-86-4
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00009445
SMILES	CCCCOC(C)=O
IUPAC Name	butyl acetate
InChI Key	DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula	C6H12O2

Riboflavin-5'-phosphate sodium salt dihydrate

CAS: 6184-17-4 Molecular Formula: C17H24N4NaO11P Molecular Weight (g/mol): 514.36 MDL Number: MFCD00150993 InChI Key: LQVGUKOCMOKKJU-FTNKLFHDNA-M Synonym: riboflavin 5'-monophosphate sodium salt dihydrate PubChem CID: 131856174 IUPAC Name: [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate;sodium;dihydrate SMILES: O.O.[Na+].CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)C3=NC(=O)NC(=O)C3=NC2=C1

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Specifications

PubChem CID	131856174
CAS	6184-17-4
Molecular Weight (g/mol)	514.36
MDL Number	MFCD00150993
SMILES	O.O.[Na+].CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)C3=NC(=O)NC(=O)C3=NC2=C1
Synonym	riboflavin 5'-monophosphate sodium salt dihydrate
IUPAC Name	[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate;sodium;dihydrate
InChI Key	LQVGUKOCMOKKJU-FTNKLFHDNA-M
Molecular Formula	C17H24N4NaO11P

Thermo Scientific Chemicals Acarbose, 95%

CAS: 56180-94-0 Molecular Formula: C25H43NO18 Molecular Weight (g/mol): 645.608 MDL Number: MFCD00869592 InChI Key: XUFXOAAUWZOOIT-AKWDJIIVSA-N Synonym: acarbose PubChem CID: 131674886 IUPAC Name: (3S,5S)-5-[(2R,3S,5S)-5-[(2R,3S,5S)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO

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Specifications

PubChem CID	131674886
CAS	56180-94-0
Molecular Weight (g/mol)	645.608
MDL Number	MFCD00869592
SMILES	CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)NC4C=C(C(C(C4O)O)O)CO
Synonym	acarbose
IUPAC Name	(3S,5S)-5-[(2R,3S,5S)-5-[(2R,3S,5S)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
InChI Key	XUFXOAAUWZOOIT-AKWDJIIVSA-N
Molecular Formula	C25H43NO18

N-Acetylglycine, 99%

CAS: 543-24-8 Molecular Formula: C₄H₇NO₃ Molecular Weight (g/mol): 117.1 MDL Number: MFCD00004275 InChI Key: OKJIRPAQVSHGFK-UHFFFAOYSA-N Synonym: n-acetylglycine,aceturic acid,acetamidoacetic acid,acetylglycine,ac-gly-oh,glycine, n-acetyl,acetylaminoacetic acid,acetylamino-acetic acid,acetylglycocoll,ethanoylaminoethanoic acid PubChem CID: 10972 ChEBI: CHEBI:40410 IUPAC Name: 2-acetamidoacetic acid SMILES: CC(=O)NCC(=O)O

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Specifications

PubChem CID	10972
CAS	543-24-8
Molecular Weight (g/mol)	117.1
ChEBI	CHEBI:40410
MDL Number	MFCD00004275
SMILES	CC(=O)NCC(=O)O
Synonym	n-acetylglycine,aceturic acid,acetamidoacetic acid,acetylglycine,ac-gly-oh,glycine, n-acetyl,acetylaminoacetic acid,acetylamino-acetic acid,acetylglycocoll,ethanoylaminoethanoic acid
IUPAC Name	2-acetamidoacetic acid
InChI Key	OKJIRPAQVSHGFK-UHFFFAOYSA-N
Molecular Formula	C₄H₇NO₃

Hydroxypropyl-beta-cyclodextrin, 97%

CAS: 128446-35-5 Molecular Formula: C44H75O36 Molecular Weight (g/mol): 1180.05 MDL Number: MFCD16621721

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Specifications

CAS	128446-35-5
Molecular Weight (g/mol)	1180.05
MDL Number	MFCD16621721
Molecular Formula	C44H75O36

Acriflavine neutral, 13.3-15.8% chlorine

CAS: 8048-52-0 Molecular Formula: C27H25ClN6 Molecular Weight (g/mol): 468.99 MDL Number: MFCD00064307 InChI Key: PEJLNXHANOHNSU-UHFFFAOYSA-N Synonym: Acriflavine base,3, 6-Diamino-10-methylacridinium chloride,Euflavine IUPAC Name: 3,6-diamino-10-methylacridin-10-ium acridine-3,6-diamine chloride SMILES: [Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12

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Specifications

CAS	8048-52-0
Molecular Weight (g/mol)	468.99
MDL Number	MFCD00064307
SMILES	[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12
Synonym	Acriflavine base,3, 6-Diamino-10-methylacridinium chloride,Euflavine
IUPAC Name	3,6-diamino-10-methylacridin-10-ium acridine-3,6-diamine chloride
InChI Key	PEJLNXHANOHNSU-UHFFFAOYSA-N
Molecular Formula	C27H25ClN6

DL-Isoborneol, 93%, tech.

CAS: 124-76-5 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00074821 InChI Key: DTGKSKDOIYIVQL-SZBHIRRCSA-N Synonym: dl-isoborneol PubChem CID: 126961757 IUPAC Name: (1R,3R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol SMILES: CC1(C2CCC1(C(C2)O)C)C

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Specifications

PubChem CID	126961757
CAS	124-76-5
Molecular Weight (g/mol)	154.25
MDL Number	MFCD00074821
SMILES	CC1(C2CCC1(C(C2)O)C)C
Synonym	dl-isoborneol
IUPAC Name	(1R,3R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
InChI Key	DTGKSKDOIYIVQL-SZBHIRRCSA-N
Molecular Formula	C₁₀H₁₈O

Alginic acid sodium salt, high viscosity

CAS: 9005-38-3 Molecular Formula: (C6H7O7)A(C6H7O7)BNa MDL Number: MFCD00081310 Synonym: Algin; Sodium alginate

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Specifications

CAS	9005-38-3
MDL Number	MFCD00081310
Synonym	Algin; Sodium alginate
Molecular Formula	(C6H7O7)A(C6H7O7)BNa

Di-tert-butyl azodicarboxylate, 97%

CAS: 870-50-8 Molecular Formula: C₁₀H₁₈N₂O₄ Molecular Weight (g/mol): 230.26 InChI Key: QKSQWQOAUQFORH-VAWYXSNFSA-N Synonym: di-tert-butyl azodicarboxylate,di-tert-butylazodicarboxylate,di-tert-butyl diazene-1,2-dicarboxylate,azodicarboxylic acid di-tert-butyl ester,di-tert-butyl azodicarboxylate dbad,pubchem17548,n-tert-butoxycarbonyl imino tert-butoxy formamide,tert-butyl tert-butyl oxycarbonyl diazenyl formate,n-tert-butoxy carbonyl imino tert-butoxy formamide,1,2-diazenedicarboxylic acid, 1,2-bis 1,1-dimethylethyl ester PubChem CID: 6034084 IUPAC Name: tert-butyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate SMILES: CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C

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Specifications

PubChem CID	6034084
CAS	870-50-8
Molecular Weight (g/mol)	230.26
SMILES	CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C
Synonym	di-tert-butyl azodicarboxylate,di-tert-butylazodicarboxylate,di-tert-butyl diazene-1,2-dicarboxylate,azodicarboxylic acid di-tert-butyl ester,di-tert-butyl azodicarboxylate dbad,pubchem17548,n-tert-butoxycarbonyl imino tert-butoxy formamide,tert-butyl tert-butyl oxycarbonyl diazenyl formate,n-tert-butoxy carbonyl imino tert-butoxy formamide,1,2-diazenedicarboxylic acid, 1,2-bis 1,1-dimethylethyl ester
IUPAC Name	tert-butyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
InChI Key	QKSQWQOAUQFORH-VAWYXSNFSA-N
Molecular Formula	C₁₀H₁₈N₂O₄

100

Thermo Scientific Chemicals Albumin bovine / fraction V, for biochemistry, pH 7.0

CAS: 9048-46-8 MDL Number: MFCD00145743

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Specifications

CAS	9048-46-8
MDL Number	MFCD00145743

101

4-Hydroxy-TEMPO, free radical, 98+%

CAS: 2226-96-2 Molecular Formula: C₉H₁₈NO₂ MDL Number: MFCD00006478 Synonym: 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidin-1-yloxy, free radical

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Specifications

CAS	2226-96-2
MDL Number	MFCD00006478
Synonym	4-Hydroxy-2,2,6,6-tetramethyl-1-piperidin-1-yloxy, free radical
Molecular Formula	C₉H₁₈NO₂

102

Thermo Scientific Chemicals D-(+)-Raffinose pentahydrate, 99%

CAS: 17629-30-0 Molecular Formula: C18H42O21 Molecular Weight (g/mol): 594.513 MDL Number: MFCD00071590 InChI Key: BITMAWRCWSHCRW-ORBWWOJFSA-N Synonym: d-+-raffinosepentahydrate PubChem CID: 134129414 IUPAC Name: (3S,4S,5R,6R)-2-[[(2R,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O.O.O.O.O.O

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Specifications

PubChem CID	134129414
CAS	17629-30-0
Molecular Weight (g/mol)	594.513
MDL Number	MFCD00071590
SMILES	C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O.O.O.O.O.O
Synonym	d-+-raffinosepentahydrate
IUPAC Name	(3S,4S,5R,6R)-2-[[(2R,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate
InChI Key	BITMAWRCWSHCRW-ORBWWOJFSA-N
Molecular Formula	C18H42O21

103

L-Cysteic acid, 99%

CAS: 498-40-8 Molecular Formula: C3H7NO5S Molecular Weight (g/mol): 169.15 MDL Number: MFCD00007524 InChI Key: XVOYSCVBGLVSOL-UHFFFAOYNA-N Synonym: l-cysteic acid,cysteinesulfonic acid,l-alanine, 3-sulfo,3-sulfo-l-alanine,cysteic acid, l,r-2-amino-3-sulfopropanoic acid,cysteic acid van,l-cysteate,cysteinic acid,cysteric acid PubChem CID: 72886 ChEBI: CHEBI:17285 SMILES: NC(CS(O)(=O)=O)C(O)=O

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Specifications

PubChem CID	72886
CAS	498-40-8
Molecular Weight (g/mol)	169.15
ChEBI	CHEBI:17285
MDL Number	MFCD00007524
SMILES	NC(CS(O)(=O)=O)C(O)=O
Synonym	l-cysteic acid,cysteinesulfonic acid,l-alanine, 3-sulfo,3-sulfo-l-alanine,cysteic acid, l,r-2-amino-3-sulfopropanoic acid,cysteic acid van,l-cysteate,cysteinic acid,cysteric acid
InChI Key	XVOYSCVBGLVSOL-UHFFFAOYNA-N
Molecular Formula	C3H7NO5S

104

4-(2-Pyridylazo)resorcinol monosodium salt monohydrate

CAS: 16593-81-0 Molecular Formula: C11H9N3O2 Molecular Weight (g/mol): 215.21 MDL Number: MFCD00150712,MFCD00150712,MFCD00150712,MFCD00006256 InChI Key: VLCAILLZPUINNF-UKTHLTGXSA-N Synonym: 4-2-pyridylazo resorcinol monosodium saltmonohydrate PubChem CID: 132988475 IUPAC Name: 3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one;sodium;hydrate SMILES: OC1=CC(=O)C=C\C1=N/NC1=CC=CC=N1

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Specifications

PubChem CID	132988475
CAS	16593-81-0
Molecular Weight (g/mol)	215.21
MDL Number	MFCD00150712,MFCD00150712,MFCD00150712,MFCD00006256
SMILES	OC1=CC(=O)C=C\C1=N/NC1=CC=CC=N1
Synonym	4-2-pyridylazo resorcinol monosodium saltmonohydrate
IUPAC Name	3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one;sodium;hydrate
InChI Key	VLCAILLZPUINNF-UKTHLTGXSA-N
Molecular Formula	C11H9N3O2

105

Nitrilotriacetic acid, 99%

CAS: 139-13-9 Molecular Formula: C6H9NO6 Molecular Weight (g/mol): 191.14 MDL Number: MFCD00004287 InChI Key: MGFYIUFZLHCRTH-UHFFFAOYSA-N Synonym: nitrilotriacetic acid,2,2',2-nitrilotriacetic acid,triglycollamic acid,aminotriacetic acid,complexon i,trilon a,n,n-bis carboxymethyl glycine,nitrilotriacetate,komplexon i,titriplex i PubChem CID: 8758 ChEBI: CHEBI:44557 IUPAC Name: 2-[bis(carboxymethyl)amino]acetic acid SMILES: OC(=O)CN(CC(O)=O)CC(O)=O

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Specifications

PubChem CID	8758
CAS	139-13-9
Molecular Weight (g/mol)	191.14
ChEBI	CHEBI:44557
MDL Number	MFCD00004287
SMILES	OC(=O)CN(CC(O)=O)CC(O)=O
Synonym	nitrilotriacetic acid,2,2',2-nitrilotriacetic acid,triglycollamic acid,aminotriacetic acid,complexon i,trilon a,n,n-bis carboxymethyl glycine,nitrilotriacetate,komplexon i,titriplex i
IUPAC Name	2-[bis(carboxymethyl)amino]acetic acid
InChI Key	MGFYIUFZLHCRTH-UHFFFAOYSA-N
Molecular Formula	C6H9NO6

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