Basic information
- Name:
D-Proline, phenylmethylester, hydrochloride (1:1)
- CAS No.:
53843-90-6
- Molecular Structure:
- Formula:
- C12H16ClNO2
- Molecular Weight:
- 241.71
- Synonyms:
- D-Proline,phenylmethyl ester, hydrochloride (9CI);D-Proline benzyl ester hydrochloride;
- Melting Point:
- 143-145 °C
- Boiling Point:
- 341.9 °C at 760 mmHg
- Flash Point:
- 160.6 °C
- Appearance:
- White powder
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Specification
The D-Proline, phenylmethylester, hydrochloride (1:1), with the CAS registry number 53843-90-6, is also known as Benzyl D-prolinate hydrochloride (1:1). It belongs to the product categories of Amino Acids; Amino Acid Benzyl Esters; Amino Acids (C-Protected); Biochemistry. This chemical's molecular formula is C12H16ClNO2 and molecular weight is 241.71. Its systematic name is called benzyl D-prolinate hydrochloride. This chemical is white powder.
Physical properties of D-Proline, phenylmethylester, hydrochloride (1:1): (1)ACD/LogP: 1.70; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3.69; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Flash Point: 160.6 °C; (10)Enthalpy of Vaporization: 59.72 kJ/mol; (11)Boiling Point: 341.9 °C at 760 mmHg; (12)Vapour Pressure: 5.56E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)[C@H]2CCCN2.Cl
(2)InChI: InChI=1/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H/t11-;/m1./s1
(3)InChIKey: NEDMOHHWRPHBAL-RFVHGSKJBA