2-NONYNOIC ACID, BUTYL ESTER

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H22N2O2
Molecular Weight	250.3367
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-NONYNOIC ACID, BUTYL ESTER

Structure Search

SMILES

CNC(=O)OC1=C(C=CC(C)=C1N(C)C)C(C)C

InChI

InChIKey=BVSKMTSQXJSFKQ-UHFFFAOYSA-N

InChI=1S/C14H22N2O2/c1-9(2)11-8-7-10(3)12(16(5)6)13(11)18-14(17)15-4/h7-9H,1-6H3,(H,15,17)

HIDE SMILES / InChI

Molecular Formula	C14H22N2O2
Molecular Weight	250.3367
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 `Tue Apr 01 19:30:16 GMT 2025` Edited by `admin` on `Tue Apr 01 19:30:16 GMT 2025`
Record UNII	O4WMS36HZR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-NONYNOIC ACID, BUTYL ESTER

Systematic Name

English

NSC-190938

Preferred Name

English

CARBAMIC ACID, METHYL-, 6-(DIMETHYLAMINO)THYMYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

O4WMS36HZR

Created by admin on Tue Apr 01 19:30:16 GMT 2025 , Edited by admin on Tue Apr 01 19:30:16 GMT 2025

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NSC

190938

Created by admin on Tue Apr 01 19:30:16 GMT 2025 , Edited by admin on Tue Apr 01 19:30:16 GMT 2025

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PUBCHEM

29193

Created by admin on Tue Apr 01 19:30:16 GMT 2025 , Edited by admin on Tue Apr 01 19:30:16 GMT 2025

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EPA CompTox

DTXSID10171917

Created by admin on Tue Apr 01 19:30:16 GMT 2025 , Edited by admin on Tue Apr 01 19:30:16 GMT 2025

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CAS

18659-45-5

Created by admin on Tue Apr 01 19:30:16 GMT 2025 , Edited by admin on Tue Apr 01 19:30:16 GMT 2025

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