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67354-61-4

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Basic Information
CAS No.: 67354-61-4
Name: N-(PHENYLMETHYL)-L-ASPARTIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 67354-61-4 (N-(PHENYLMETHYL)-L-ASPARTIC ACID)
Formula: C11H13NO4
Molecular Weight: 223.229
Synonyms: N-Benzyl-L-asparticacid;
Density: 1.311 g/cm3
Boiling Point: 376.7 °C at 760 mmHg
Flash Point: 181.6 °C
PSA: 86.63000
LogP: 1.09500
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Specification

The L-Asparticacid, N-(phenylmethyl)-, with the CAS registry number 67354-61-4, is also known as (2S)-2-(benzylamino)butanedioic acid. This chemical's molecular formula is C11H13NO4 and molecular weight is 223.22522. Its systematic name is called N-benzyl-L-aspartic acid.

Physical properties of L-Asparticacid, N-(phenylmethyl)-: (1)ACD/LogP: 1.76; (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): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 6; (9)Index of Refraction: 1.576; (10)Molar Refractivity: 56.38 cm3; (11)Molar Volume: 170.2 cm3; (12)Surface Tension: 59.2 dyne/cm; (13)Density: 1.311 g/cm3; (14)Flash Point: 181.6 °C; (15)Enthalpy of Vaporization: 65.87 kJ/mol; (16)Boiling Point: 376.7 °C at 760 mmHg; (17)Vapour Pressure: 2.4E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](NCc1ccccc1)C(=O)O
(2)InChI: InChI=1/C11H13NO4/c13-10(14)6-9(11(15)16)12-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16)/t9-/m0/s1
(3)InChIKey: RKSKSWSMXZYPFW-VIFPVBQEBM