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

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Name

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

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

N/A

Article Data 2

(+-)-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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