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Leucine, methyl ester,hydrochloride (1:1)

  • Name Leucine, methyl ester,hydrochloride (1:1)
  • EINECS228-681-1
  • CAS No. 6322-53-8
  • Density0.955g/cm3
  • PSA52.32000
  • LogP2.03510
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H16ClNO2
  • Boiling Point169.2 °C at 760 mmHg
  • Molecular Weight181.663
  • Flash Point42.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety36/37
  • Risk Codes43
  • Molecular Structure
    Molecular Structure of 6322-53-8 (H-DL-LEU-OME HCL)
  • Hazard SymbolsXi
  • SynonymsXi
  • Article Data37

Leucine, methyl ester,hydrochloride (1:1) Specification

The CAS register number of Leucine, methyl ester,hydrochloride (1:1) is 6322-53-8. It also can be called as DL-Leucine,methyl ester, hydrochloride and the systematic name about this chemical is methyl L-leucinate hydrochloride. The molecular formula about this chemical is C7H16ClNO2 and the molecular weight is 181.66.

Physical properties about Leucine, methyl ester,hydrochloride (1:1) are: (1)ACD/LogP: 0.93; (2)ACD/LogD (pH 5.5): -1.44; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 16.74; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 29.54 Å2; (12)Flash Point: 42.7 °C; (13)Enthalpy of Vaporization: 40.56 kJ/mol; (14)Boiling Point: 169.2 °C at 760 mmHg; (15)Vapour Pressure: 1.56 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)[C@@H](N)CC(C)C
(2)InChI: InChI=1/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m0./s1
(3)InChIKey: DODCBMODXGJOKD-RGMNGODLBT
(4)Std. InChI: InChI=1S/C7H15NO2.ClH/c1-5(2)4-6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t6-;/m0./s1
(5)Std. InChIKey: DODCBMODXGJOKD-RGMNGODLSA-N

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