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L-Proline,2-[(3-chlorophenyl)methyl]-

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  • Name L-Proline,2-[(3-chlorophenyl)methyl]-
  • EINECSN/A
  • CAS No. 637020-80-5
  • DensityN/A
  • PSA49.33000
  • LogP3.22010
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC12H15Cl2NO2
  • Boiling Point390.3 °C at 760 mmHg
  • Molecular Weight276.16
  • Flash Point189.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 637020-80-5 ((R)-ALPHA-(3-CHLOROBENZYL)-PROLINE-HCL)
  • Hazard SymbolsN/A
  • SynonymsN/A

L-Proline,2-[(3-chlorophenyl)methyl]- Specification

The CAS register number of L-Proline,2-[(3-chlorophenyl)methyl]- is 637020-80-5. It also can be called as (R)-a-(3-chloro-benzyl)-prolineCl and the systematic name about this chemical is 2-(3-chlorobenzyl)-L-proline hydrochloride. The molecular formula about this chemical is C12H15Cl2NO2 and the molecular weight is 276.16.

Physical properties about L-Proline,2-[(3-chlorophenyl)methyl]- are: (1)ACD/LogP: 2.26; (2)ACD/LogD (pH 5.5): -0.24; (3)ACD/LogD (pH 7.4): -0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.28; (7)ACD/KOC (pH 7.4): 1.28; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Flash Point: 189.8 °C; (13)Enthalpy of Vaporization: 67.47 kJ/mol; (14)Boiling Point: 390.3 °C at 760 mmHg; (15)Vapour Pressure: 8.63E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@]1(NCCC1)Cc2cccc(Cl)c2.Cl
(2)InChI: InChI=1/C12H14ClNO2.ClH/c13-10-4-1-3-9(7-10)8-12(11(15)16)5-2-6-14-12;/h1,3-4,7,14H,2,5-6,8H2,(H,15,16);1H/t12-;/m1./s1
(3)InChIKey: PYMQPNPTFZYFAC-UTONKHPSBK
(4)Std. InChI: InChI=1S/C12H14ClNO2.ClH/c13-10-4-1-3-9(7-10)8-12(11(15)16)5-2-6-14-12;/h1,3-4,7,14H,2,5-6,8H2,(H,15,16);1H/t12-;/m1./s1
(5)Std. InChIKey: PYMQPNPTFZYFAC-UTONKHPSSA-N

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