3-Phenylpyrrolidine

HCID 3146743

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Basic information

CAS: 936-44-7
Standard SMILES: c1ccc(C2CCNC2)cc1
InChIKey: PRRFFTYUBPGHLE-UHFFFAOYSA-N
Molecular formula: C10H13N
Average molar mass: 147.22 g/mol
Monoisotopic mass: 147.10479942

Names & identifiers

Preferred name: 3-Phenylpyrrolidine
IUPAC: 3-phenylpyrrolidine
English name: 3-Phenylpyrrolidine
Molecular formula: C10H13N
Molecular weight: 147.22

Names & synonyms

3-Phenylpyrrolidine936-44-7DTXSID60389848RefChem:504992DTXCID30340709812-163-23-Phenyl-pyrrolidinePyrrolidine, 3-phenyl-MFCD01838169CHEMBL75207F2189-00883-phenyl-pyrolidine

Show more names

3AAX-0-03-phenyl pyrrole3-phenylpyrolidineTIMTEC-BB SBB010168(Pyrrolidin-3-yl)benzeneASINEX-REAG BAS 03334576

3-phenyl-pyrollidine4-phenyl-pyrrolidineSCHEMBL4122SCHEMBL75754SCHEMBL242194SCHEMBL694509(+/-)-3-phenyl-pyrrolidineorb3027280

Database identifiers

CAS: 936-44-7
PubChem CID: 3146743
DTXSID: DTXSID60389848
ChEMBL: CHEMBL75207
EC Number: 812-163-2
Nikkaji: J2.143.157E

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 116

Physicochemical properties

Boiling point: 120 · 120-122 °C(Press: 12 Torr)
Density: 1.027 g/cm3 · 1.027 g/cm3
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 10.1 · 10.10±0.10(Predicted)
form: liquid
color: Colourless
CAS DataBase Reference: 936 · 936-44-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-36-52
Safety Statements: 26 · 26
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.