3-(ISODECYLOXY)PROPANENITRILE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H25NO
Molecular Weight	211.3437
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(ISODECYLOXY)PROPANENITRILE

Structure Search

SMILES

CC(C)CCCCCCCOCCC#N

InChI

InChIKey=XDCQMQXLBGPTHH-UHFFFAOYSA-N

InChI=1S/C13H25NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-9,11-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H25NO
Molecular Weight	211.3437
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 `Mon Mar 31 21:45:55 GMT 2025` Edited by `admin` on `Mon Mar 31 21:45:55 GMT 2025`
Record UNII	3854CD4UX4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-(ISODECYLOXY)PROPANENITRILE

Systematic Name

English

PROPANENITRILE, 3-(ISODECYLOXY)-

Preferred Name

English

Code System Code Type Description

FDA UNII

3854CD4UX4

Created by admin on Mon Mar 31 21:45:55 GMT 2025 , Edited by admin on Mon Mar 31 21:45:55 GMT 2025

PRIMARY

PUBCHEM

110608

Created by admin on Mon Mar 31 21:45:55 GMT 2025 , Edited by admin on Mon Mar 31 21:45:55 GMT 2025

PRIMARY

SMS_ID

300000052935

Created by admin on Mon Mar 31 21:45:55 GMT 2025 , Edited by admin on Mon Mar 31 21:45:55 GMT 2025

PRIMARY

CAS

64354-92-3

Created by admin on Mon Mar 31 21:45:55 GMT 2025 , Edited by admin on Mon Mar 31 21:45:55 GMT 2025

PRIMARY

ECHA (EC/EINECS)

264-840-1

Created by admin on Mon Mar 31 21:45:55 GMT 2025 , Edited by admin on Mon Mar 31 21:45:55 GMT 2025

PRIMARY