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Details

Stereochemistry RACEMIC
Molecular Formula C13H17NO2
Molecular Weight 219.2796
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3,4-DIMETHOXYPHENYL)-3-METHYLBUTANENITRILE

SMILES

COC1=C(OC)C=C(C=C1)C(C#N)C(C)C

InChI

InChIKey=NFXAXMOAVPLEBH-UHFFFAOYSA-N
InChI=1S/C13H17NO2/c1-9(2)11(8-14)10-5-6-12(15-3)13(7-10)16-4/h5-7,9,11H,1-4H3

HIDE SMILES / InChI

Molecular Formula C13H17NO2
Molecular Weight 219.2796
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:22:17 UTC 2023
Edited
by admin
on Sat Dec 16 11:22:17 UTC 2023
Record UNII
1Z42YUG42K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3,4-DIMETHOXYPHENYL)-3-METHYLBUTANENITRILE
Systematic Name English
2-(3,4-DIMETHOXYPHENYL)-3-METHYLBUTYRONITRILE
Systematic Name English
ISOPROPYL(3,4-DIMETHOXYPHENYL)ACETONITRILE
Systematic Name English
(2RS)-2-(3,4-DIMETHOXYPHENYL)-3-METHYLBUTANENITRILE
Systematic Name English
(±)-2-(3,4-DIMETHOXYPHENYL)-3-METHYLBUTANENITRILE
Systematic Name English
BENZENEACETONITRILE, 3,4-DIMETHOXY-.ALPHA.-(1-METHYLETHYL)-
Systematic Name English
3,4-DIMETHOXY-.ALPHA.-(1-METHYLETHYL)BENZENEACETONITRILE
Systematic Name English
.ALPHA.-ISOPROPYLHOMOVERATRONITRILE
Systematic Name English
.ALPHA.-ISOPROPYLVERATRYL CYANIDE
Common Name English
VERAPAMIL HYDROCHLORIDE IMPURITY K [EP IMPURITY]
Common Name English
2-(3,4-DIMETHOXYPHENYL)-2-ISOPROPYLACETONITRILE
Systematic Name English
Code System Code Type Description
CAS
20850-49-1
Created by admin on Sat Dec 16 11:22:17 UTC 2023 , Edited by admin on Sat Dec 16 11:22:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID60864963
Created by admin on Sat Dec 16 11:22:17 UTC 2023 , Edited by admin on Sat Dec 16 11:22:17 UTC 2023
PRIMARY
PUBCHEM
89396
Created by admin on Sat Dec 16 11:22:17 UTC 2023 , Edited by admin on Sat Dec 16 11:22:17 UTC 2023
PRIMARY
FDA UNII
1Z42YUG42K
Created by admin on Sat Dec 16 11:22:17 UTC 2023 , Edited by admin on Sat Dec 16 11:22:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
244-082-8
Created by admin on Sat Dec 16 11:22:17 UTC 2023 , Edited by admin on Sat Dec 16 11:22:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP