Basic information
- CAS
125743-63-7- Standard SMILES
CN1CCN(Cc2ccc(C#N)cc2)CC1- InChIKey
IVSYNRMJMLDSIB-UHFFFAOYSA-N- Molecular formula
- C13H17N3
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.14224754
Names & identifiers
- Preferred name
- 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile
- IUPAC
- 4-[(4-methylpiperazin-1-yl)methyl]benzonitrile
- English name
- 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE
- Molecular formula
- C13H17N3
- Molecular weight
- 215.29
Names & synonyms
125743-63-74-((4-methylpiperazin-1-yl)methyl)benzonitrile4-[(4-methylpiperazin-1-yl)methyl]benzonitrileDTXSID40428764RefChem:1069658DTXCID703795984-(4-Methylpiperazin-1-ylmethyl)benzonitrileBenzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]-4-[(4-methyl-1-piperazinyl)methyl]benzonitrileMFCD080605314-(4-Methylpiperazinomethyl)benzonitrileImatinib Impurity 18
Show more names
Imatinib int1Imatinib Intermediate 14-[(4-methyl-1-azineyl)methyl]benzenitrile4-[(4-Methylpiperazin-1-yl)methyl]benzonitrile97%4-[(4-Methylpiperazin-1-yl)methyl]benzonitrile 97%4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE USP/EP/BP
1-(4-Cyanobenzyl)-4-methylpiperazine4-(4-methyl-piperazin-1-ylmethyl)-benzonitrileSCHEMBL148919orb3030865IVSYNRMJMLDSIB-UHFFFAOYSA-N422ZN54H3NFr13254SBB067494
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 342.5 · 342.5±32.0 °C(Predicted)
- Density
- 1.11 · 1.11
- storage temp.
- 2 · 2-8°C, protect from light
- solubility
- soluble in Chloroform
- form
- Solid
- pka
- 7.55 · 7.55±0.10(Predicted)
- color
- Off-White
- CAS DataBase Reference
- 125743 · 125743-63-7
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H314-H332
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 20 · 20/21/22-34
- Safety Statements
- 23 · 23-26-36/37/39-45
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
- hs_code
- 2933599590
- risk_code
- 20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 23-26-36/37/39-45
- Hazard statements
- H302-H312-H314-H332
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses4-(4-Methylpiperazinomethyl)benzonitrile (cas# 125743-63-7) is a compound useful in organic synthesis.
Suppliers65 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海格物致知医药科技有限公司21-21-54301573 13917723525 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Related reactions
6 records
Compound notes
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