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Basic Information
CAS No.: 637020-76-9
Name: (S)-ALPHA-(2-CHLOROBENZYL)-PROLINE-HCL
Molecular Structure:
Molecular Structure of 637020-76-9 ((S)-ALPHA-(2-CHLOROBENZYL)-PROLINE-HCL)
Formula: C12H14ClNO2
Molecular Weight: 239.6981
Synonyms: (S)-2-(2-Chlorobenzyl)pyrrolidine-2-carboxylic acid;
Density: 1.29 g/cm3
Boiling Point: 390.3 °C at 760 mmHg
Flash Point: 189.8 °C
PSA: 49.33000
LogP: 3.22010
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Specification

The CAS registry number of D-Proline,2-[(2-chlorophenyl)methyl]- is 637020-76-9. This chemical is also named as (S)-2-(2-Chlorobenzyl)pyrrolidine-2-carboxylic acid. In addition, its molecular formula is C12H14ClNO2 and molecular weight is 239.6981. Its systematic name is called 2-(2-chlorobenzyl)-L-proline.

Physical properties about D-Proline,2-[(2-chlorophenyl)methyl]- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.24; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.28; (8)ACD/KOC (pH 7.4): 1.28; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 61.86 cm3; (14)Molar Volume: 185.6 cm3; (15)Surface Tension: 51.9 dyne/cm; (16)Density: 1.29 g/cm3; (17)Flash Point: 189.8 °C; (18)Enthalpy of Vaporization: 67.47 kJ/mol; (19)Boiling Point: 390.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@]1(NCCC1)Cc2ccccc2Cl
(2)InChI: InChI=1/C12H14ClNO2/c13-10-5-2-1-4-9(10)8-12(11(15)16)6-3-7-14-12/h1-2,4-5,14H,3,6-8H2,(H,15,16)/t12-/m1/s1
(3)InChIKey: DHCULKZTSGDUNZ-GFCCVEGCBA