1-N-Cbz-3-pyrrolidinone supplier

Name
1-N-Cbz-3-pyrrolidinone
EINECS 200-838-9
CAS No. 130312-02-6
Article Data20
CAS DataBase
Density 1.255 g/cm³
Solubility
Melting Point 45-47 ºC
Formula C₁₂H₁₃NO₃
Boiling Point 370.2 ºC at 760 mmHg
Molecular Weight 219.24
Flash Point 177.7 ºC
Transport Information
Appearance
Safety 23-24/25-36/37
Risk Codes 22-40
Molecular Structure
Hazard Symbols Xn
Synonyms 1-Benzyloxycarbonyl-3-pyrrolidinone;3-Oxopyrrolidine-1-carboxylic acid benzyl ester;Benzyl 3-oxopyrrolidine-1-carboxylate;N-Benzyloxycarbonyl-3-pyrrolidinone;Phenylmethyl3-oxo-1-pyrrolidinecarboxylate;
PSA 46.61000
LogP 1.53590

1-N-Cbz-3-pyrrolidinone Chemical Properties

IUPAC Name: Benzyl 3-oxopyrrolidine-1-carboxylate
Molecular Formula: C₁₂H₁₃NO₃
Molecular Weight: 219.24 g/mol
Canonical SMILES: C1CN(CC1=O)C(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C12H13NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5H,6-9H2
Mol File: 130312-02-6.mol
Product Categories: Pyrrole & Pyrrolidine & Pyrroline
XLogP3-AA: 1.2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 219.089543
MonoIsotopic Mass: 219.089543
Topological Polar Surface Area: 46.6
Heavy Atom Count: 16
Complexity: 271
Index of Refraction: 1.573
Molar Refractivity: 57.58 cm³
Molar Volume: 174.5 cm³
Polarizability: 22.82×10^-24cm³
Surface Tension: 53.2 dyne/cm
Density: 1.255 g/cm³
Flash Point: 177.7 °C
Enthalpy of Vaporization: 61.71 kJ/mol
Boiling Point: 370.2 °C at 760 mmHg
Melting Point: 45-47 °C
Vapour Pressure of 1-N-Cbz-3-pyrrolidinone (CAS NO.130312-02-6): 1.13E-05 mmHg at 25 °C

1-N-Cbz-3-pyrrolidinone Safety Profile

Hazard Codes: Harmful Xn
Risk Statements: 22-40
R22: Harmful if swallowed.
R40: Limited evidence of a carcinogenic effect.
Safety Statements: 23-24/25-36/37
S23: Do not breathe vapour.
S24/25: Avoid contact with skin and eyes.
S36/37: Wear suitable protective clothing and gloves.
WGK Germany of 1-N-Cbz-3-pyrrolidinone (CAS NO.130312-02-6): 2

1-N-Cbz-3-pyrrolidinone Specification

1-N-Cbz-3-pyrrolidinone (CAS NO.130312-02-6), its Synonyms are N-Benzyloxycarbonyl-3-pyrrolidinone ; N-Cbz-3-pyrrolidinone ; 3-Oxo-1-Pyrrolidinecarboxylic acid, phenylmethyl ester ; 3-Oxo-Pyrrolidine-1-carboxylic acid benzyl ester ; 1-Z-3-Pyrrolidinone ; 1-Cbz-3-Pyrrolidinone ; 1-Carbobenzyloxy-3-pyrrolidinone .

Product Name

1-N-Cbz-3-pyrrolidinone

1-N-Cbz-3-pyrrolidinone Chemical Properties

1-N-Cbz-3-pyrrolidinone Safety Profile

1-N-Cbz-3-pyrrolidinone Specification

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