CAS No.64187-47-9,N-Carbobenzoxy-4-oxo-L-proline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64187-47-9
Name:	N-Carbobenzoxy-4-oxo-L-proline
Article Data:	14

Formula:	C₁₃H₁₃NO₅
Molecular Weight:	263.25
Synonyms:	1,2-Pyrrolidinedicarboxylicacid, 4-oxo-, 1-(phenylmethyl) ester, (S)-;1-(Benzyloxycarbonyl)-4-keto-(S)-proline;
Density:	1.409 g/cm³
Melting Point:	95℃
Boiling Point:	488.455 °C at 760 mmHg
Flash Point:	249.209 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37
PSA:	83.91000
LogP:	0.98910

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Specification

The N-Carbobenzoxy-4-oxo-L-proline, with the CAS registry number 64187-47-9, is also known as 1-[(Benzyloxy)carbonyl]-4-oxo-L-proline. This chemical's molecular formula is C₁₃H₁₃NO₅ and molecular weight is 263.246. What's more, its IUPAC name is (2S)-4-Oxo-1-[benzyloxycarbonyl]pyrrolidine-2-carboxylic acid.

Physical properties about N-Carbobenzoxy-4-oxo-L-proline are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 83.91 Å²; (11)Index of Refraction: 1.597; (12)Molar Refractivity: 63.689 cm³; (13)Molar Volume: 186.839 cm³; (14)Polarizability: 25.248×10^-24 cm³; (15)Surface Tension: 65.615 dyne/cm; (16)Density: 1.409 g/cm³; (17)Flash Point: 249.209 °C; (18)Enthalpy of Vaporization: 79.474 kJ/mol; (19)Boiling Point: 488.455 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H]2N(C(=O)OCc1ccccc1)CC(=O)C2
(2) InChI: InChI=1/C13H13NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,16,17)/t11-/m0/s1
(3) InChIKey: RPLLCMZOIFOBIF-NSHDSACABF