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Details

Stereochemistry ACHIRAL
Molecular Formula C13H25N
Molecular Weight 195.3443
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-2-PENTYLHEPTANENITRILE

SMILES

CCCCCC(C)(CCCCC)C#N

InChI

InChIKey=DBCOJMXZAWQKQU-UHFFFAOYSA-N
InChI=1S/C13H25N/c1-4-6-8-10-13(3,12-14)11-9-7-5-2/h4-11H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H25N
Molecular Weight 195.3443
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 19:40:25 GMT 2025
Edited
by admin
on Tue Apr 01 19:40:25 GMT 2025
Record UNII
E58H6B97FK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-220101
Preferred Name English
2-METHYL-2-PENTYLHEPTANENITRILE
Systematic Name English
1-HEPTANENITRILE, 2-METHYL-2-PENTYL-
Systematic Name English
HEPTANENITRILE, 2-METHYL-2-PENTYL-
Systematic Name English
Code System Code Type Description
FDA UNII
E58H6B97FK
Created by admin on Tue Apr 01 19:40:25 GMT 2025 , Edited by admin on Tue Apr 01 19:40:25 GMT 2025
PRIMARY
NSC
220101
Created by admin on Tue Apr 01 19:40:25 GMT 2025 , Edited by admin on Tue Apr 01 19:40:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID00198097
Created by admin on Tue Apr 01 19:40:25 GMT 2025 , Edited by admin on Tue Apr 01 19:40:25 GMT 2025
PRIMARY
PUBCHEM
39542
Created by admin on Tue Apr 01 19:40:25 GMT 2025 , Edited by admin on Tue Apr 01 19:40:25 GMT 2025
PRIMARY
CAS
49827-48-7
Created by admin on Tue Apr 01 19:40:25 GMT 2025 , Edited by admin on Tue Apr 01 19:40:25 GMT 2025
PRIMARY