Basic information
- CAS
59349-71-2- Standard SMILES
c1ccc([C@@H]2CCCNC2)cc1- InChIKey
NZYBILDYPCVNMU-LLVKDONJSA-N- Molecular formula
- C11H15N
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.12044948
Overview
See also: 3-Phenylpiperidine (annotation moved to).
Names & identifiers
- Preferred name
- (S)-3-Phenylpiperidine
- IUPAC
- (3S)-3-phenylpiperidine
- English name
- (S)-3-phenylpiperidine
- Molecular formula
- C11H15N
- Molecular weight
- 161.24
Names & synonyms
(S)-3-Phenylpiperidine59349-71-2(3s)-3-phenylpiperidineEINECS 261-713-2DTXSID70208096RefChem:408021DTXCID90130587261-713-2(S)-3-Phenyl piperidineMFCD03839935(s)-3-phenyl-piperidinePiperidine, 3-phenyl-, (S)-
Show more names
(3S)-3-phenylpiperidine - [P87045]
XU66DUP6Z43-Phenylpiperidine, (3S)-SCHEMBL383031SCHEMBL2182929SCHEMBL28122477AKOS015840988PIPERIDINE, 3-PHENYL-, (3S)-AS-37479
Database identifiers
- CAS
59349-71-2- PubChem CID
- 101021
- DTXSID
DTXSID70208096- UNII
- XU66DUP6Z4
- EC Number
- 261-713-2
- Nikkaji
- J308.670D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 263 ℃ · 263℃
- Density
- 0.967 · 0.967
- Flash point
- 116 ℃ · 116℃
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.01 · 10.01±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C11H15N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-3,5-6,11-12H,4,7-9H2/t11-/m1/s1
- InChIKey
- NZYBILDYPCVNMU-LLVKDONJSA-N
- SMILES
- N1CCC[C@@H](C2=CC=CC=C2)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers64 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
2 records
Compound notes
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