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ChemicalBook--->CAS DataBase List--->120511-88-8

120511-88-8

120511-88-8 Structure

120511-88-8 Structure
IdentificationBack Directory
[Name]

5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile
[CAS]

120511-88-8
[Synonyms]

Anastrozole EP Impurity E
3,5-Bis(2-cyanoisopropyl) benzalcohol
Anastrozole Impurity 10(EP Impurity E)
Anastrozole Impurity 10(Anastrozole EP Impurity E)
2-[3-(1-Cyano-1-Methylethyl)-5-(hydroxyMethyl)phenyl]-2-
1,3-Benzenediacetonitrile, 5-(hydroxymethyl)-a1,a1,a3,a3-tet...
2,2'-[5-(Hydroxymethyl)-1,3-phenylene]bis(2-methylpropanenitrile)
2,2'-[5-(hydroxymethyl)benzene-1,3- diyl]bis(2-methylpropanenitrile)
1,3-Benzenediacetonitrile, 5-(hydroxymethyl)-a1,a1,a3,a3-tetramethyl-
1,3-Benzenediacetonitrile, 5-(hydroxyMethyl)-α1,α1,α3,α3-tetraMethyl-
2-[3-(cyano-dimethyl-methyl)-5-hydroxymethyl-phenyl]-2-methyl-propionitrile
2-[3-(1-Cyano-1-methylethyl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile
5-(Hydroxymethyl)-alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenediacetonitrile
2,2'-(5-(Hydroxymethyl)-1,3-phenylene)bis(2-methylpropanenitrile) (Anastrozole Impurity)
[Molecular Formula]

C15H18N2O
[MDL Number]

MFCD16619241
[MOL File]

120511-88-8.mol
[Molecular Weight]

242.32
Chemical PropertiesBack Directory
[Melting point ]

150-160℃
[Boiling point ]

382.3±37.0 °C(Predicted)
[density ]

1.084
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.34±0.10(Predicted)
[color ]

White to Off-White
[InChI]

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
[InChIKey]

PLEAQICJSGOGID-UHFFFAOYSA-N
[SMILES]

C1(C(C)(C)C#N)=CC(CO)=CC(C(C)(C)C#N)=C1
Hazard InformationBack Directory
[Uses]

2-[3-(Cyanodimethylmethyl)-5-hydroxymethylphenyl]-2-methylpropionitrile (Anastrozole EP Impurity E ) is an impurity of Anastrozole (A637425), an aromatase inhibitor which functions as an antineoplastic (1,2). Anastrozole is used in post-menopausal women with advanced breast cancer.
[Definition]

ChEBI: 2-[3-(2-cyanopropan-2-yl)-5-(hydroxymethyl)phenyl]-2-methylpropanenitrile is an alkylbenzene.
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