3-NITROPENTANE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

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 3-NITROPENTANE

Structure Search

SMILES

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

InChI

InChIKey=RXPKOTQRDGEKFY-UHFFFAOYSA-N

InChI=1S/C5H11NO2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3

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 21:09:22 GMT 2025` Edited by `admin` on `Mon Mar 31 21:09:22 GMT 2025`
Record UNII	3DB5UCN3UM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-NITROPENTANE

Systematic Name

English

3-NITROPENTANE [MI]

Preferred Name

English

PENTANE, 3-NITRO-

Systematic Name

English

Code System Code Type Description

FDA UNII

3DB5UCN3UM

Created by admin on Mon Mar 31 21:09:22 GMT 2025 , Edited by admin on Mon Mar 31 21:09:22 GMT 2025

PRIMARY

CAS

551-88-2

Created by admin on Mon Mar 31 21:09:22 GMT 2025 , Edited by admin on Mon Mar 31 21:09:22 GMT 2025

PRIMARY

MERCK INDEX

m7973

Created by admin on Mon Mar 31 21:09:22 GMT 2025 , Edited by admin on Mon Mar 31 21:09:22 GMT 2025

PRIMARY

Merck Index

PUBCHEM

12333

Created by admin on Mon Mar 31 21:09:22 GMT 2025 , Edited by admin on Mon Mar 31 21:09:22 GMT 2025

PRIMARY

EPA CompTox

DTXSID2020979

Created by admin on Mon Mar 31 21:09:22 GMT 2025 , Edited by admin on Mon Mar 31 21:09:22 GMT 2025

PRIMARY