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637020-82-7

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Basic Information
CAS No.: 637020-82-7
Name: (S)-ALPHA-(3-CHLOROBENZYL)-PROLINE-HCL
Molecular Structure:
Molecular Structure of 637020-82-7 ((S)-ALPHA-(3-CHLOROBENZYL)-PROLINE-HCL)
Formula: C12H15Cl2NO2
Molecular Weight: 276.16
Synonyms: (S)-a-(3-Chlorobenzyl)proline·HCl;(S)-a-(3-chloro-benzyl)-prolineCl;(S)-Alpha-(3-chlorobenzyl)-proline-HCl;
Boiling Point: 441.4 °C at 760 mmHg
Flash Point: 220.7 °C
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 49.33000
LogP: 3.22010
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Specification

The CAS register number of D-Proline,2-[(3-chlorophenyl)methyl]- is 637020-82-7. It also can be called as (S)-a-(3-Chlorobenzyl)proline·HCl and the systematic name about this chemical is (2S)-2-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylic acid hydrochloride. The molecular formula about this chemical is C12H15Cl2NO2 and the molecular weight is 276.16.

Physical properties about D-Proline,2-[(3-chlorophenyl)methyl]- are: (1)ACD/LogP: 2.44; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 49.33 Å2; (6)Flash Point: 220.7 °C; (7)Enthalpy of Vaporization: 73.64 kJ/mol; (8)Boiling Point: 441.4 °C at 760 mmHg; (9)Vapour Pressure: 1.44E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.OC(=O)[C@@]2(Cc1ccc(Br)cc1)CCCN2
(2)InChI: InChI=1/C12H14BrNO2.ClH/c13-10-4-2-9(3-5-10)8-12(11(15)16)6-1-7-14-12;/h2-5,14H,1,6-8H2,(H,15,16);1H/t12-;/m0./s1
(3)InChIKey: XQKUKSHCIVXCSU-YDALLXLXBA
(4)Std. InChI: InChI=1S/C12H14BrNO2.ClH/c13-10-4-2-9(3-5-10)8-12(11(15)16)6-1-7-14-12;/h2-5,14H,1,6-8H2,(H,15,16);1H/t12-;/m0./s1
(5)Std. InChIKey: XQKUKSHCIVXCSU-YDALLXLXSA-N