2-NITROBUTANOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C4H9NO3
Molecular Weight	119.1192
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-NITROBUTANOL

Structure Search

SMILES

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

InChI

InChIKey=MHIHRIPETCJEMQ-UHFFFAOYSA-N

InChI=1S/C4H9NO3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula	C4H9NO3
Molecular Weight	119.1192
Charge	0
Count

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:59:47 GMT 2025` Edited by `admin` on `Mon Mar 31 21:59:47 GMT 2025`
Record UNII	830A2921CB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-NITROBUTANOL

Systematic Name

English

NSC-3635

Preferred Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

56901

Created by admin on Mon Mar 31 21:59:47 GMT 2025 , Edited by admin on Mon Mar 31 21:59:47 GMT 2025

Code System Code Type Description

ECHA (EC/EINECS)

210-188-8

Created by admin on Mon Mar 31 21:59:47 GMT 2025 , Edited by admin on Mon Mar 31 21:59:47 GMT 2025

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EPA CompTox

DTXSID9025748

Created by admin on Mon Mar 31 21:59:47 GMT 2025 , Edited by admin on Mon Mar 31 21:59:47 GMT 2025

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CAS

609-31-4

Created by admin on Mon Mar 31 21:59:47 GMT 2025 , Edited by admin on Mon Mar 31 21:59:47 GMT 2025

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PUBCHEM

11864

Created by admin on Mon Mar 31 21:59:47 GMT 2025 , Edited by admin on Mon Mar 31 21:59:47 GMT 2025

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FDA UNII

830A2921CB

Created by admin on Mon Mar 31 21:59:47 GMT 2025 , Edited by admin on Mon Mar 31 21:59:47 GMT 2025

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NSC

3635

Created by admin on Mon Mar 31 21:59:47 GMT 2025 , Edited by admin on Mon Mar 31 21:59:47 GMT 2025

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