Basic information
- CAS
34334-28-6- Standard SMILES
CN1CCN(c2ccc(C#N)cc2)CC1- InChIKey
ZSDPKKGOSKXEHN-UHFFFAOYSA-N- Molecular formula
- C12H15N3
- Average molar mass
- 201.27 g/mol
- Monoisotopic mass
- 201.12659749
Names & identifiers
- Preferred name
- 4-(4-Methylpiperazin-1-yl)benzonitrile
- IUPAC
- 4-(4-methylpiperazin-1-yl)benzonitrile
- English name
- 4-(4-METHYL-PIPERAZIN-1-YL)BENZONITRILE
- Molecular formula
- C12H15N3
- Molecular weight
- 201.27
Names & synonyms
4-(4-methylpiperazin-1-yl)benzonitrile34334-28-6DTXSID30354088RefChem:288180DTXCID303051514-(4-methyl-piperazin-1-yl)benzonitrile4-(4-Methylpiperazino)benzonitrileMFCD03546779Benzonitrile, 4-(4-methyl-1-piperazinyl)-4-(4-methyl-1-piperazinyl)benzonitrile4-(4-methylpiperazinyl)benzenecarbonitrileRXJ
Show more names
4-(Methyl-piperazin-1-yl)benzonitrile
4-(4-Methyl-piperazin-1-yl)-benzonitrileSCHEMBL151261AKOS B030325ZSDPKKGOSKXEHN-UHFFFAOYSA-NCS-B1832CL1610SBB024171STK351207
Database identifiers
- CAS
34334-28-6- PubChem CID
- 763205
- DTXSID
DTXSID30354088- Nikkaji
- J1.186.427I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 104 · 104-105℃
- Boiling point
- 356.5 · 356.5±37.0 °C(Predicted)
- Density
- 1.14 · 1.14
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.62 · 7.62±0.42(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H312+H332-H319-H341
- Precautionary statements
- 501 · P501-P261-P270-P202-P201-P271-P264-P280-P308+P313-P337+P313-P305+P351+P338-P362+P364-P301+P310+P330-P302+P352+P312-P304+P340+P312-P405
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
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Hazard statements
- H301-H312+H332-H319-H341
- Precautionary statements
- P501-P261-P270-P202-P201-P271-P264-P280-P308+P313-P337+P313-P305+P351+P338-P362+P364-P301+P310+P330-P302+P352+P312-P304+P340+P312-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers49 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
平顶山隆维生物科技有限公司15343756688 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
8 records
Compound notes
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