5-Nitrohexanenitrile

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H10N2O2
Molecular Weight	142.1558
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Nitrohexanenitrile

Structure Search

SMILES

CC(CCCC#N)[N+]([O-])=O

InChI

InChIKey=CTQYODVEVIBVOK-UHFFFAOYSA-N

InChI=1S/C6H10N2O2/c1-6(8(9)10)4-2-3-5-7/h6H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H10N2O2
Molecular Weight	142.1558
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:08:47 GMT 2025` Edited by `admin` on `Wed Apr 02 12:08:47 GMT 2025`
Record UNII	5452FJ3C3W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-1083

Preferred Name

English

5-Nitrohexanenitrile

Systematic Name

English

Hexanenitrile, 5-nitro-

Systematic Name

English

Code System Code Type Description

PUBCHEM

219604

Created by admin on Wed Apr 02 12:08:47 GMT 2025 , Edited by admin on Wed Apr 02 12:08:47 GMT 2025

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EPA CompTox

DTXSID80277192

Created by admin on Wed Apr 02 12:08:47 GMT 2025 , Edited by admin on Wed Apr 02 12:08:47 GMT 2025

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NSC

1083

Created by admin on Wed Apr 02 12:08:47 GMT 2025 , Edited by admin on Wed Apr 02 12:08:47 GMT 2025

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FDA UNII

5452FJ3C3W

Created by admin on Wed Apr 02 12:08:47 GMT 2025 , Edited by admin on Wed Apr 02 12:08:47 GMT 2025

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CAS

5461-13-2

Created by admin on Wed Apr 02 12:08:47 GMT 2025 , Edited by admin on Wed Apr 02 12:08:47 GMT 2025

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