Basic information
- CAS
136704-10-4- Standard SMILES
ClCC1CCN(Cc2ccccc2)CC1- InChIKey
JQRPAXCUPFDKRT-UHFFFAOYSA-N- Molecular formula
- C13H18ClN
- Average molar mass
- 223.74 g/mol
- Monoisotopic mass
- 223.11277726
Names & identifiers
- Preferred name
- 1-Benzyl-4-(chloromethyl)piperidine
- IUPAC
- 1-benzyl-4-(chloromethyl)piperidine
- English name
- 1-benzyl-4-(chloromethyl)piperidine(SALTDATA: HCl)
- Molecular formula
- C13H18ClN
- Molecular weight
- 223.74
Names & synonyms
1-benzyl-4-(chloromethyl)piperidine136704-10-4DTXSID40330616RefChem:228059DTXCID002817111-Benzyl-4-chloromethyl-piperidinePiperidine, 4-(chloromethyl)-1-(phenylmethyl)-1-benzyl-4-(chloromethyl)piperidine(SALTDATA: HCl)Piperidine, 4-(chloromethyl)-1-(phenylmethyl)-, hydrochlorideACMC-20mw9pSCHEMBL44331021-Benzyl-4-chloromethylpiperidine
Show more names
JQRPAXCUPFDKRT-UHFFFAOYSA-NALBB-013193LFA70410MFCD15143192STL426867AKOS005173798DB-063164
Database identifiers
- CAS
136704-10-4- PubChem CID
- 430959
- DTXSID
DTXSID40330616- Nikkaji
- J1.749.206C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 306.9 · 306.9±15.0 °C(Predicted)
- Density
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- pka
- 8.4 · 8.40±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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