2-NITROPROPANE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H7NO2
Molecular Weight	89.0932
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC(C)[N+]([O-])=O

InChI

InChIKey=FGLBSLMDCBOPQK-UHFFFAOYSA-N

InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

Show entries

Title	Date	PubMed
Affinity chromatographic selection of carbonylated proteins followed by identification of oxidation sites using tandem mass spectrometry.	2005 Apr 15	15828771
Protective effect of diphenyl diselenide on acute liver damage induced by 2-nitropropane in rats.	2005 May 15	15804453
Probing the "additive effect" in the proline and proline hydroxamic acid catalyzed asymmetric addition of nitroalkanes to cyclic enones.	2005 Nov	16189834
Differences in gene expression profiles in the liver between carcinogenic and non-carcinogenic isomers of compounds given to rats in a 28-day repeat-dose toxicity study.	2006 Dec 15	17070881
Crystal structure of 2-nitropropane dioxygenase complexed with FMN and substrate. Identification of the catalytic base.	2006 Jul 7	16682407

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Patents

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Name

Type

Language

2-NITROPROPANE

Systematic Name

English

2-NITROPROPANE [IARC]

Common Name

English

DIMETHYLNITROMETHANE

Systematic Name

English

ISONITROPROPANE

Common Name

English

2-NITROPROPANE [HSDB]

Common Name

English

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Classification Tree

Code System

Code

EPA PESTICIDE

EPA PESTICIDE CODE

600029

Organo-nitrogen Carcinogen

NCI_THESAURUS

C45179

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Code System

Code

Type

Description

MERCK INDEX

m7985

PRIMARY

Merck Index

CHEBI

16037

PRIMARY

EPA CompTox

DTXSID6020981

PRIMARY

CAS

79-46-9

PRIMARY

NSC

5369

PRIMARY

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SUBSTANCE RECORD


					GKV234L2QH

2-NITROPROPANE