Basic information
- CAS
36938-76-8- Standard SMILES
Clc1ccc(CC2CCNCC2)cc1- InChIKey
VPESQEWIPDEGSY-UHFFFAOYSA-N- Molecular formula
- C12H16ClN
- Average molar mass
- 209.71 g/mol
- Monoisotopic mass
- 209.0971272
Names & identifiers
- Preferred name
- 4-(4-Chlorobenzyl)piperidine
- IUPAC
- 4-[(4-chlorophenyl)methyl]piperidine
- English name
- 4-(4-CHLOROBENZYL)PIPERIDINE
- Molecular formula
- C12H16ClN
- Molecular weight
- 209.72
Names & synonyms
4-(4-chlorobenzyl)piperidine36938-76-84-[(4-chlorophenyl)methyl]piperidine4-(4-CHLOROBENZYL)-PIPERIDINEPiperidine, 4-[(4-chlorophenyl)methyl]-4-(4-Chloro-benzyl)-piperidineSCHEMBL894700ALINDA 16258SCHEMBL3130172SCHEMBL6002534SCHEMBL25344328DTXSID30395673
Show more names
4-(4-CHLOROBENZYL)PIPERIDINE HCL
OTAVA-BB 1043257VPESQEWIPDEGSY-UHFFFAOYSA-NSTK500904AKOS004120137AB30919CCG-355959DA-06377CS-0451714
Database identifiers
- CAS
36938-76-8- PubChem CID
- 3732780
- DTXSID
DTXSID30395673- Nikkaji
- J1.840.975E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 310.8 · 310.8±22.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 10.55 · 10.55±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers13 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
10 records
Compound notes
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