Product Name

  • Name

    Brn 1451635

  • EINECS
  • CAS No. 5556-57-0
  • Article Data2
  • CAS DataBase
  • Density 1.043g/cm3
  • Solubility
  • Melting Point
  • Formula C12H15NO
  • Boiling Point 363°Cat760mmHg
  • Molecular Weight 189.28
  • Flash Point 216°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 5556-57-0 (Brn 1451635)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

(+-)-5-Ethyl-5-phenylpyrrolid-2-one Chemical Properties

Molecular Structure of (+-)-5-Ethyl-5-phenylpyrrolid-2-one (CAS NO. 5556-57-0):

IUPAC Name: 5-Ethyl-5-phenylpyrrolidin-2-one 
Molecular Formula: C12H15NO
Molecular Weight: 189.253600 g/mol
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CCC1(CCC(=O)N1)C2=CC=CC=C2
InChI: InChI=1S/C12H15NO/c1-2-12(9-8-11(14)13-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKey: JTSAWYFWKYGLHL-UHFFFAOYSA-N
Index of Refraction: 1.524
Molar Refractivity: 55.6 cm3
Molar Volume: 181.4 cm3
Surface Tension: 35.9 dyne/cm
Density: 1.043 g/cm3
Flash Point: 216 °C
Enthalpy of Vaporization: 60.9 kJ/mol
Boiling Point: 363 °C at 760 mmHg
Vapour Pressure: 1.86E-05 mmHg at 25 °C
BRN of (+-)-5-Ethyl-5-phenylpyrrolid-2-one (CAS NO. 5556-57-0): 1451635

(+-)-5-Ethyl-5-phenylpyrrolid-2-one Toxicity Data With Reference

1.    

orl-rat LD50:600 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 25 (1965),790.
2.    

orl-mus LD54:812 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 9 (1966),52.
3.    

ipr-mus LD50:750 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 25 (1965),790.

(+-)-5-Ethyl-5-phenylpyrrolid-2-one Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

(+-)-5-Ethyl-5-phenylpyrrolid-2-one Specification

  (+-)-5-Ethyl-5-phenylpyrrolid-2-one with cas registry number of 5556-57-0 is also called for (+-)-5-Ethyl-5-phenyl-2-pyrrolidinone ; 5-21-08-00152 (Beilstein Handbook Reference) ; 2-Pyrrolidinone, 5-ethyl-5-phenyl-, (+-)- .

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