Basic information
- CAS
918312-71-7- Standard SMILES
Cc1cc(CC(C)(C#N)c2cc(C)cc(C(C)(C)C#N)c2)cc(C(C)(C)C#N)c1- InChIKey
DSWIROKRYFYWHD-UHFFFAOYSA-N- Molecular formula
- C26H29N3
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.23614794
Overview
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Names & identifiers
- Preferred name
- Didestriazole Anastrozole Dimer Impurity
- IUPAC
- 2,3-bis[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile
- English name
- Di-Destriazole Anastrozole DiMer IMpurity
- Molecular formula
- C26H29N3
- Molecular weight
- 383.52856
Names & synonyms
918312-71-7Didestriazole Anastrozole Dimer Impurity2,3-bis[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrileDi-Destriazole Anastrozole DiMer IMpurityAnastrozole Impurity 422,2'-((2-cyanopropane-1,2-diyl)bis(5-methyl-3,1-phenylene))bis(2-methylpropanenitrile)2,2'-[(2-Cyanopropane-1,2-diyl)bis(5-methyl-3,1-phenylene)]bis(2-methylpropanenitrile)PW73D8X99VSCHEMBL4621304DTXSID80581004ID21754G91118
Show more names
Anastrozole Impurity 26Anastrozole Impurity 20Anastrozole Didestriazole Dimer Impurityα1-[[3-(1-Cyano-1-Methylethyl)-5-Methylphenyl]Methyl]-α1,α3,α3,5-tetraMethyl-1,3-benzenediacetonitrile1,3-Benzenediacetonitrile, α1-[[3-(1-cyano-1-methylethyl)-5-methylphenyl]methyl]-α1,α3,α3,5-tetramethyl-Anastrozole Impurity AQ: What is Anastrozole Impurity A Q: What is the CAS Number of Anastrozole Impurity A Q: What is the storage condition of Anastrozole Impurity A
?1-[[3-(1-Cyano-1-methylethyl)-5-methylphenyl]methyl]-?1,?3,?3,5-tetramethyl-1,3-benzenediacetonitrile1,3-Benzenediacetonitrile, alpha1-[[3-(1-cyano-1-methylethyl)-5-methylphenyl]methyl]-alpha1,alpha3,alpha3,5-tetramethyl-alpha1-[[3-(1-Cyano-1-methylethyl)-5-methylphenyl]methyl]-alpha1-,alpha3-,alpha3-,5-tetramethyl-1,3-benzenediacetonitrile
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Boiling point
- 518.1 · 518.1±45.0 °C(Predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate, Dimethyl Sulfoxide
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAnastrozole Dimer Impurity (A637440) derivative. Anastrozole Impurity A
Suppliers27 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
合肥孚亚生物技术有限公司
Related reactions
0 records
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Compound notes
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