1-NITROBUTANE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H9NO2
Molecular Weight	103.1198
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-NITROBUTANE

Structure Search

SMILES

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

InChI

InChIKey=NALZTFARIYUCBY-UHFFFAOYSA-N

InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C4H9NO2
Molecular Weight	103.1198
Charge	0
Count

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

Approval Year

PubMed

PubMed

Title	Date	PubMed
Antiviral and antimicrobial activities of new nitrobutane derivatives.	2004	15646374

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:57:34 GMT 2023` Edited by `admin` on `Fri Dec 15 17:57:34 GMT 2023`
Record UNII	7R02589S2G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-NITROBUTANE

Systematic Name

English

NSC-3648

Code

English

BUTANE, 1-NITRO-

Systematic Name

English

NITROBUTANE, 1-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

210-980-3

Created by admin on Fri Dec 15 17:57:34 GMT 2023 , Edited by admin on Fri Dec 15 17:57:34 GMT 2023

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CAS

627-05-4

Created by admin on Fri Dec 15 17:57:34 GMT 2023 , Edited by admin on Fri Dec 15 17:57:34 GMT 2023

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FDA UNII

7R02589S2G

Created by admin on Fri Dec 15 17:57:34 GMT 2023 , Edited by admin on Fri Dec 15 17:57:34 GMT 2023

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NSC

3648

Created by admin on Fri Dec 15 17:57:34 GMT 2023 , Edited by admin on Fri Dec 15 17:57:34 GMT 2023

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EPA CompTox

DTXSID8020967

Created by admin on Fri Dec 15 17:57:34 GMT 2023 , Edited by admin on Fri Dec 15 17:57:34 GMT 2023

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PUBCHEM

12302

Created by admin on Fri Dec 15 17:57:34 GMT 2023 , Edited by admin on Fri Dec 15 17:57:34 GMT 2023

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