Basic information
- CAS
199105-17-4- Standard SMILES
Nc1ccccc1N1CCN(Cc2ccccc2)CC1- InChIKey
KGTKQCBBMYJSFD-UHFFFAOYSA-N- Molecular formula
- C17H21N3
- Average molar mass
- 267.37 g/mol
- Monoisotopic mass
- 267.17354768
Names & identifiers
- Preferred name
- 2-(4-Benzylpiperazin-1-yl)aniline
- IUPAC
- 2-(4-benzylpiperazin-1-yl)aniline
- English name
- 2-(4-Benzyl-piperazin-1-yl)aniline
- Molecular formula
- C17H21N3
- Molecular weight
- 267.37
Names & synonyms
199105-17-42-(4-benzylpiperazin-1-yl)aniline2-(4-Benzyl-piperazin-1-yl)aniline1-(2-Aminophenyl)-4-benzylpiperazineBenzenamine, 2-[4-(phenylmethyl)-1-piperazinyl]-MFCD073651182-(4-Benzyl-1-piperazinyl)anilineBenzenamine,2-[4-(phenylmethyl)-1-piperazinyl]-SCHEMBL4519472DTXSID30403868KGTKQCBBMYJSFD-UHFFFAOYSA-N2-[4-Benzylpiperazinyl]phenylamine
Show more names
2-[4-(Phenylmethyl)-1-piperazinyl]benzenamineBenzenamine,2-[4-(phenylmethyl)-1-piperazinyl
AKOS000103353AB90262DB-065991CS-0449586G80317F771923
Database identifiers
- CAS
199105-17-4- PubChem CID
- 4518832
- DTXSID
DTXSID30403868
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 420.9 · 420.9±45.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- pka
- 7.94 · 7.94±0.40(Predicted)
Chemistry & industry
Suppliers14 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
平顶山隆维生物科技有限公司15343756688 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
南京利瑞医药贸易有限公司
Related reactions
8 records
Compound notes
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