4-(3-Phenylpropyl)piperidine

HCID 87678

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Basic information

CAS: 18495-82-4
Standard SMILES: c1ccc(CCCC2CCNCC2)cc1
InChIKey: HASRFXGIJALRRB-UHFFFAOYSA-N
Molecular formula: C14H21N
Average molar mass: 203.32 g/mol
Monoisotopic mass: 203.16739967

Names & identifiers

Preferred name: 4-(3-Phenylpropyl)piperidine
IUPAC: 4-(3-phenylpropyl)piperidine
English name: 4-(3-PHENYLPROPYL)PIPERIDINE
Molecular formula: C14H21N
Molecular weight: 203.32

Names & synonyms

4-(3-Phenylpropyl)piperidine18495-82-4EINECS 242-381-8DTXSID60171684RefChem:97167DTXCID3094175242-381-84-(3-Phenyl-propyl)-piperidinePiperidine, 4-(3-phenylpropyl)-MFCD000231524-(3-phenylpropyl)-piperidine4-phenylpropylpiperidine

Show more names

4-(3-Phenylpropyl)piperidine>4-(gamma-Phenylpropyl)piperidine4-(3-Phenylpropan-1-yl)piperidine4-(3-PHENYL-PROPYL)-PIPERIDINE >98%4-(3-Phenylpropyl)Piperidine≥ 99.9% (titration)

SCHEMBL827344-(3-phenylpropyl) piperidineSCHEMBL2303549SCHEMBL152650484-(3-phenylprop-1-yl)piperidineAKOS004120135SB34612AS-60603

Database identifiers

CAS: 18495-82-4
PubChem CID: 87678
DTXSID: DTXSID60171684
EC Number: 242-381-8
Nikkaji: J222.222A

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 155

Physicochemical properties

Boiling point: 306.3 · 306.3±11.0 °C(Predicted)
Density: 0 · 0,96 g/cm3
refractive index: 1.524 to · 1.5240 to 1.5280
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
pka: 10.67 · 10.67±0.10(Predicted)
color: Colorless to Light yellow
CAS DataBase Reference: 18495 · 18495-82-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Risk Statements: 36 · 36/37/38
Safety Statements: 36 · 36/37/39
HazardClass: IRRITANT
HS Code: 29333990 · 29333990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)；Eye Irrit. 2 (97.6%)；STOT SE 3 (95.1%)

Safety data

hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313