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Details

Stereochemistry ACHIRAL
Molecular Formula C15H18N2O
Molecular Weight 242.3168
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BENZENEDIACETONITRILE, 5-(HYDROXYMETHYL)-.ALPHA.1,.ALPHA.1,.ALPHA.3,.ALPHA.3-TETRAMETHYL-

SMILES

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

InChI

InChIKey=PLEAQICJSGOGID-UHFFFAOYSA-N
InChI=1S/C15H18N2O/c1-14(2,9-16)12-5-11(8-18)6-13(7-12)15(3,4)10-17/h5-7,18H,8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C15H18N2O
Molecular Weight 242.3168
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 05:45:38 UTC 2021
Edited
by admin
on Sat Jun 26 05:45:38 UTC 2021
Record UNII
5893LNR941
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BENZENEDIACETONITRILE, 5-(HYDROXYMETHYL)-.ALPHA.1,.ALPHA.1,.ALPHA.3,.ALPHA.3-TETRAMETHYL-
Systematic Name English
2,2-(5-(HYDROXYMETHYL)BENZENE-1,3-DIYL)BIS(2-METHYLPROPANENITRILE)
Systematic Name English
5-(HYDROXYMETHYL)-.ALPHA.1,.ALPHA.1,.ALPHA.3,.ALPHA.3-TETRAMETHYL-1,3-BENZENEDIACETONITRILE
Systematic Name English
ANASTROZOLE IMPURITY E (EP
Common Name English
2-(3-(CYANODIMETHYLMETHYL)-5-HYDROXYMETHYLPHENYL)-2-METHYLPROPIONITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
5893LNR941
Created by admin on Sat Jun 26 05:45:38 UTC 2021 , Edited by admin on Sat Jun 26 05:45:38 UTC 2021
PRIMARY
CAS
120511-88-8
Created by admin on Sat Jun 26 05:45:38 UTC 2021 , Edited by admin on Sat Jun 26 05:45:38 UTC 2021
PRIMARY
PUBCHEM
19349398
Created by admin on Sat Jun 26 05:45:38 UTC 2021 , Edited by admin on Sat Jun 26 05:45:38 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP