4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTANONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H13N3O3
Molecular Weight	223.2285
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTANONE

Structure Search

SMILES

CN(CCCC(=O)C1=C[N+]([O-])=CC=C1)N=O

InChI

InChIKey=KRRWRVSPMYAJPF-UHFFFAOYSA-N

InChI=1S/C10H13N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8H,3,5-6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H14N3O3
Molecular Weight	224.2365
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 `Wed Apr 02 05:24:41 GMT 2025` Edited by `admin` on `Wed Apr 02 05:24:41 GMT 2025`
Record UNII	L9H5BL53ZJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(METHYLNITROSAMINO)-1-(3-PYRIDYL-N-OXIDE)-1-BUTANONE

Systematic Name

English

NNK-N-OXIDE

Preferred Name

English

1-BUTANONE, 4-(METHYLNITROSOAMINO)-1-(1-OXIDO-3-PYRIDINYL)-

Systematic Name

English

4-(METHYLNITROSOAMINO)-1-(1-OXIDO-3-PYRIDINYL)-1-BUTANONE

Systematic Name

English

1-BUTANONE, 4-(METHYLNITROSOAMINO)-1-(3-PYRIDINYL)-, N-OXIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

L9H5BL53ZJ

Created by admin on Wed Apr 02 05:24:41 GMT 2025 , Edited by admin on Wed Apr 02 05:24:41 GMT 2025

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PUBCHEM

156652

Created by admin on Wed Apr 02 05:24:41 GMT 2025 , Edited by admin on Wed Apr 02 05:24:41 GMT 2025

PRIMARY

EPA CompTox

DTXSID40226924

Created by admin on Wed Apr 02 05:24:41 GMT 2025 , Edited by admin on Wed Apr 02 05:24:41 GMT 2025

PRIMARY

CAS

76014-82-9

Created by admin on Wed Apr 02 05:24:41 GMT 2025 , Edited by admin on Wed Apr 02 05:24:41 GMT 2025

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Related Record Type Details


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4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE

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