1-NITROPENTANE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H11NO2
Molecular Weight	117.1463
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-NITROPENTANE

Structure Search

SMILES

CCCCC[N+]([O-])=O

InChI

InChIKey=BVALZCVRLDMXOQ-UHFFFAOYSA-N

InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C5H11NO2
Molecular Weight	117.1463
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:18:30 GMT 2025` Edited by `admin` on `Mon Mar 31 22:18:30 GMT 2025`
Record UNII	AU9UDR808R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-3645

Preferred Name

English

1-NITROPENTANE

Systematic Name

English

PENTANE, 1-NITRO-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

211-025-3

Created by admin on Mon Mar 31 22:18:30 GMT 2025 , Edited by admin on Mon Mar 31 22:18:30 GMT 2025

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PUBCHEM

220639

Created by admin on Mon Mar 31 22:18:30 GMT 2025 , Edited by admin on Mon Mar 31 22:18:30 GMT 2025

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CAS

628-05-7

Created by admin on Mon Mar 31 22:18:30 GMT 2025 , Edited by admin on Mon Mar 31 22:18:30 GMT 2025

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EPA CompTox

DTXSID20211878

Created by admin on Mon Mar 31 22:18:30 GMT 2025 , Edited by admin on Mon Mar 31 22:18:30 GMT 2025

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FDA UNII

AU9UDR808R

Created by admin on Mon Mar 31 22:18:30 GMT 2025 , Edited by admin on Mon Mar 31 22:18:30 GMT 2025

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CHEBI

55344

Created by admin on Mon Mar 31 22:18:30 GMT 2025 , Edited by admin on Mon Mar 31 22:18:30 GMT 2025

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NSC

3645

Created by admin on Mon Mar 31 22:18:30 GMT 2025 , Edited by admin on Mon Mar 31 22:18:30 GMT 2025

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