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Details

Stereochemistry ACHIRAL
Molecular Formula C8H15N
Molecular Weight 125.2114
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PROPYLVALERONITRILE

SMILES

CCCC(CCC)C#N

InChI

InChIKey=YCBOPMITSGZJDX-UHFFFAOYSA-N
InChI=1S/C8H15N/c1-3-5-8(7-9)6-4-2/h8H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H15N
Molecular Weight 125.2114
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 09:58:47 UTC 2023
Edited
by admin
on Sat Dec 16 09:58:47 UTC 2023
Record UNII
HTD29QGA4I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PROPYLVALERONITRILE
Systematic Name English
2-PROPYLPENTANENITRILE
Systematic Name English
DIPROPYLACETONITRILE
Systematic Name English
VALPROIC ACID IMPURITY I [EP IMPURITY]
Common Name English
PENTANENITRILE, 2-PROPYL-
Systematic Name English
4-CYANOHEPTANE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
236-338-2
Created by admin on Sat Dec 16 09:58:48 UTC 2023 , Edited by admin on Sat Dec 16 09:58:48 UTC 2023
PRIMARY
PUBCHEM
83330
Created by admin on Sat Dec 16 09:58:48 UTC 2023 , Edited by admin on Sat Dec 16 09:58:48 UTC 2023
PRIMARY
CAS
13310-75-3
Created by admin on Sat Dec 16 09:58:48 UTC 2023 , Edited by admin on Sat Dec 16 09:58:48 UTC 2023
PRIMARY
FDA UNII
HTD29QGA4I
Created by admin on Sat Dec 16 09:58:48 UTC 2023 , Edited by admin on Sat Dec 16 09:58:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID70157954
Created by admin on Sat Dec 16 09:58:48 UTC 2023 , Edited by admin on Sat Dec 16 09:58:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (GC)
EP