Basic information
- CAS
332-14-9- Standard SMILES
c1ccc(CCN2CCCCC2)cc1- InChIKey
DBDVAKGHPZJLTH-UHFFFAOYSA-N- Molecular formula
- C13H19N
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.15174961
Names & identifiers
- Preferred name
- Piperidine, 1-(2-phenylethyl)-
- IUPAC
- 1-(2-phenylethyl)piperidine
- English name
- 1-phenethylpiperidine
- Molecular formula
- C13H19N
- Molecular weight
- 189.3
Names & synonyms
1-(2-Phenylethyl)piperidine332-14-9Piperidine, 1-(2-phenylethyl)-1-Piperidino-2-phenylethanePIPERIDINE, 1-PHENETHYL-FMP-1991-Piperidino-2-phenyl-aethanEINECS 206-362-81-Piperidino-2-phenyl-aethan [German]BRN 0137585AI3-11531DTXSID5059822
Show more names
EMP-199
DBDVAKGHPZJLTH-UHFFFAOYSA-5-20-02-00064 (Beilstein Handbook Reference)RefChem:863503DTXCID3038646InChI=1/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H21-Phenethylpiperidine6949-43-5N-(2-Phenylethyl)piperidine
Database identifiers
- CAS
332-14-9- PubChem CID
- 9513
- DTXSID
DTXSID5059822- ChEMBL
CHEMBL75228- UNII
- 5TY7C52M7F
- EC Number
- 206-362-8
- Nikkaji
- J53.864G
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
- 14
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 190 · 190-192 °C(Solv: ethanol (64-17-5))
- Boiling point
- 272.05 °C · 272.05°C
- Density
- 0.9122 · 0.9122 (rough estimate)
- refractive index
- 1.549 · 1.5490 (estimate)
- pka
- 9.29 · 9.29±0.10(Predicted)
- FDA UNII
- 5 TY7C52M7F · 5TY7C52M7F
- EPA Substance Registry System
- 1 · Piperidine, 1-(2-phenylethyl)- (332-14-9)
- TSCA
- TSCA listed
- Toxicity
- 50 scu-mus: · LD50 scu-mus: 150 mg/kg ARZNAD 15,126,65
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
- tsca
- TSCA listed
- Toxicity
- LD50 scu-mus: 150 mg/kg ARZNAD 15,126,65
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPiperidine, 1-(2-phenylethyl)-: INACTIVE
Suppliers4 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Related reactions
1 records
Compound notes
Loading…