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637020-57-6

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Basic Information
CAS No.: 637020-57-6
Name: (S)-ALPHA-BENZYL-PROLINE-HCL
Article Data: 7
Molecular Structure:
Molecular Structure of 637020-57-6 ((S)-ALPHA-BENZYL-PROLINE-HCL)
Formula: C12H16ClNO2
Molecular Weight: 205.257
Synonyms: (S)-a-Benzylproline·HCl;(S)-Alpha-benzyl-proline-HCl;(S)-a-Benzyl-prolineCl;
Density: 1.181±0.06 g/cm3(Predicted)
Boiling Point: 389.8 °C at 760 mmHg
Flash Point: 189.5 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 49.33000
LogP: 2.56670
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Specification

The CAS register number of D-Proline,2-(phenylmethyl)- is 637020-57-6. It also can be called as (S)-a-Benzylproline·HCl and the systematic name about this chemical is (2S)-2-benzylpyrrolidine-2-carboxylic acid hydrochloride. The molecular formula about this chemical is C12H16ClNO2 and the molecular weight is 241.71.

Physical properties about D-Proline,2-(phenylmethyl)- are: (1)ACD/LogP: 1.67; (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: 189.5 °C; (7)Enthalpy of Vaporization: 67.42 kJ/mol; (8)Boiling Point: 389.8 °C at 760 mmHg; (9)Vapour Pressure: 8.95E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.OC(=O)[C@@]2(Cc1ccccc1)CCCN2
(2)InChI: InChI=1/C12H15NO2.ClH/c14-11(15)12(7-4-8-13-12)9-10-5-2-1-3-6-10;/h1-3,5-6,13H,4,7-9H2,(H,14,15);1H/t12-;/m0./s1
(3)InChIKey: SPHJFGQFCBZKRU-YDALLXLXBK
(4)Std. InChI: InChI=1S/C12H15NO2.ClH/c14-11(15)12(7-4-8-13-12)9-10-5-2-1-3-6-10;/h1-3,5-6,13H,4,7-9H2,(H,14,15); 1H/t12-;/m0./s1
(5)Std. InChIKey: SPHJFGQFCBZKRU-YDALLXLXSA-N