Identification | Back 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 Properties | Back 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 Information | Back 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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Company Name: |
BOC Sciences
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Tel: |
16314854226 |
Website: |
www.bocsci.com |
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