3-METHYL-1-NITROBUTANE

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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 3-METHYL-1-NITROBUTANE

Structure Search

SMILES

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

InChI

InChIKey=FEJLPMVSVDSKHJ-UHFFFAOYSA-N

InChI=1S/C5H11NO2/c1-5(2)3-4-6(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

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:53:47 GMT 2023` Edited by `admin` on `Sat Dec 16 08:53:47 GMT 2023`
Record UNII	2044IXU3WI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-METHYL-1-NITROBUTANE

Systematic Name

English

BUTANE, 3-METHYL-1-NITRO-

Systematic Name

English

1-NITRO-3-METHYLBUTANE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

211-008-0

Created by admin on Sat Dec 16 08:53:47 GMT 2023 , Edited by admin on Sat Dec 16 08:53:47 GMT 2023

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FDA UNII

2044IXU3WI

Created by admin on Sat Dec 16 08:53:47 GMT 2023 , Edited by admin on Sat Dec 16 08:53:47 GMT 2023

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EPA CompTox

DTXSID90211769

Created by admin on Sat Dec 16 08:53:47 GMT 2023 , Edited by admin on Sat Dec 16 08:53:47 GMT 2023

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PUBCHEM

69396

Created by admin on Sat Dec 16 08:53:47 GMT 2023 , Edited by admin on Sat Dec 16 08:53:47 GMT 2023

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CAS

627-67-8

Created by admin on Sat Dec 16 08:53:47 GMT 2023 , Edited by admin on Sat Dec 16 08:53:47 GMT 2023

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