U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H15N
Molecular Weight 137.2221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cycloheptaneacetonitrile

SMILES

N#CCC1CCCCCC1

InChI

InChIKey=KJMMTXAYZTXUQO-UHFFFAOYSA-N
InChI=1S/C9H15N/c10-8-7-9-5-3-1-2-4-6-9/h9H,1-7H2

HIDE SMILES / InChI

Molecular Formula C9H15N
Molecular Weight 137.2221
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 Sat Dec 16 18:46:02 GMT 2023
Edited
by admin
on Sat Dec 16 18:46:02 GMT 2023
Record UNII
9VH7SBE5KY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cycloheptaneacetonitrile
Systematic Name English
2-Cycloheptylacetonitrile
Systematic Name English
NSC-18967
Code English
Code System Code Type Description
FDA UNII
9VH7SBE5KY
Created by admin on Sat Dec 16 18:46:02 GMT 2023 , Edited by admin on Sat Dec 16 18:46:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID90280874
Created by admin on Sat Dec 16 18:46:02 GMT 2023 , Edited by admin on Sat Dec 16 18:46:02 GMT 2023
PRIMARY
CAS
5452-65-3
Created by admin on Sat Dec 16 18:46:02 GMT 2023 , Edited by admin on Sat Dec 16 18:46:02 GMT 2023
PRIMARY
PUBCHEM
227398
Created by admin on Sat Dec 16 18:46:02 GMT 2023 , Edited by admin on Sat Dec 16 18:46:02 GMT 2023
PRIMARY
NSC
18967
Created by admin on Sat Dec 16 18:46:02 GMT 2023 , Edited by admin on Sat Dec 16 18:46:02 GMT 2023
PRIMARY