CAS No.120851-71-0,trans-1-Benzoyl-4-phenyl-L-proline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	120851-71-0
Name:	trans-1-Benzoyl-4-phenyl-L-proline
Article Data:	2

Formula:	C₁₈H₁₇NO₃
Molecular Weight:	295.338
Synonyms:	trans-1-Benzoyl-4-ph; trans-1-Benzoyl-4-phenylpyrrolidine-2-carboxylic acid;
EINECS:	1592732-453-0
Density:	1.266 g/cm³
Boiling Point:	518.142 °C at 760 mmHg
Flash Point:	267.163 °C
PSA:	57.61000
LogP:	2.70740

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Specification

The trans-1-Benzoyl-4-phenyl-L-proline, with the CAS registry number 120851-71-0, is also known as (2S,4S)-4-Phenyl-1-(phenylcarbonyl)pyrrolidine-2-carboxylic acid. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₁₈H₁₇NO₃ and molecular weight is 295.33. Its systematic name is called (2S,4S)-1-benzoyl-4-phenyl-pyrrolidine-2-carboxylic acid.

Physical properties of trans-1-Benzoyl-4-phenyl-L-proline: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 1.388; (3)ACD/BCF (pH 5.5): 4.675; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 68.751; (6)ACD/KOC (pH 7.4): 1.167; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.623; (11)Molar Refractivity: 82.21 cm³; (12)Molar Volume: 233.226 cm³; (13)Surface Tension: 55.993 dyne/cm; (14)Density: 1.266 g/cm³; (15)Flash Point: 267.163 °C; (16)Enthalpy of Vaporization: 83.235 kJ/mol; (17)Boiling Point: 518.142 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)[C@@H]2C[C@H](N(C2)C(=O)c3ccccc3)C(=O)O
(2)InChI: InChI=1/C18H17NO3/c20-17(14-9-5-2-6-10-14)19-12-15(11-16(19)18(21)22)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,21,22)/t15-,16+/m1/s1
(3)InChIKey: NJMASXVCJXPDME-CVEARBPZBX