2-Phenylpyrrolidine

HCID 261892CAS 1006-64-0

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Basic information

Standard SMILES: c1ccc(C2CCCN2)cc1
InChIKey: JUTDHSGANMHVIC-UHFFFAOYSA-N
Molecular formula: C10H13N
Average molar mass: 147.22 g/mol
Monoisotopic mass: 147.10479942

Names & identifiers

Preferred name: 2-Phenylpyrrolidine
IUPAC: 2-phenylpyrrolidine
English name: 2-Phenylpyrrolidine
Molecular formula: C10H13N
Molecular weight: 147.22

Names & synonyms

2-PhenylpyrrolidineRefChem:478235674-604-3NSC 949611006-64-02-phenyl-pyrrolidinepyrrolidine, 2-phenyl-MFCD01631835rac-2-phenylpyrrolidine(RS)-2-phenyl-pyrrolidineOprea1_853234(2S)-2-phenylpyrrolidin-1-ium

Show more names

AKOS BB-8859Pyrrolidine,2-Phenyl-2-PHENYLPYRROLIDINE 95%2-Phenyl-pyrrolidin 98%2-PHENYLPYRROLIDINE HCL(RS)-2-phenylpyrrolidine2-PHENYL-PYRROLIDINE >97%

AKOS000118067CS-W008926PS-3577SB15998SY063719Z223138744NSC94961NoName_3649

Database identifiers

CAS: 1006-64-0
PubChem CID: 261892
DTXSID: DTXSID40903061
ChEMBL: CHEMBL369366
EC Number: 674-604-3
Nikkaji: J306.168J

Properties

Computed structural properties

XLogP: 1.8
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

Melting point: 42 · 42-43 °C
Boiling point: 68 °C · 68°C
Density: 0.988 · 0.988±0.06 g/cm3(Predicted)
refractive index: 1.539 · 1.5390
storage temp.: 2 · 2-8°C(protect from light)
form: liquid
pka: 10.13 · 10.13±0.10(Predicted)
color: Colourless to light yellow
CAS DataBase Reference: 1006 · 1006-64-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-52-36-22
Safety Statements: 26 · 26-36/37/39
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.