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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17ClN2
Molecular Weight 260.7624
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-(CHLOROMETHYL)-5-(2-CYANOPROPAN-2-YL)PHENYL)-2-METHYLPROPANENITRILE

SMILES

CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CCl

InChI

InChIKey=HSNGPKBBTHINTG-UHFFFAOYSA-N
InChI=1S/C15H17ClN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C15H17ClN2
Molecular Weight 260.7624
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 Jun 26 11:39:08 UTC 2021
Edited
by admin
on Sat Jun 26 11:39:08 UTC 2021
Record UNII
UA6KB3ICZ1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-(CHLOROMETHYL)-5-(2-CYANOPROPAN-2-YL)PHENYL)-2-METHYLPROPANENITRILE
Systematic Name English
1,3-BENZENEDIACETONITRILE, 5-(CHLOROMETHYL)-.ALPHA.1,.ALPHA.1,.ALPHA.3,.ALPHA.3-TETRAMETHYL-
Systematic Name English
2,2-(5-(CHLOROMETHYL)BENZENE-1,3-DIYL)BIS(2-METHYLPROPANENITRILE)
Systematic Name English
ANASTROZOLE IMPURITY I [EP]
Common Name English
5-(CHLOROMETHYL)-.ALPHA.1,.ALPHA.1,.ALPHA.3,.ALPHA.3-TETRAMETHYL-1,3-BENZENEDIACETONITRILE
Systematic Name English
Code System Code Type Description
PUBCHEM
19349384
Created by admin on Sat Jun 26 11:39:08 UTC 2021 , Edited by admin on Sat Jun 26 11:39:08 UTC 2021
PRIMARY
FDA UNII
UA6KB3ICZ1
Created by admin on Sat Jun 26 11:39:08 UTC 2021 , Edited by admin on Sat Jun 26 11:39:08 UTC 2021
PRIMARY
CAS
120511-91-3
Created by admin on Sat Jun 26 11:39:08 UTC 2021 , Edited by admin on Sat Jun 26 11:39:08 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP