Solubility: | 1 g in 222.2 ml water at 20 deg C; 1 g in 149.9 ml water at 30 deg C; more sol in salt soln; sol in acids, alkalies Insoluble in ethanol, ethyl ether, benzene; soluble in dilute HCl, pyridine In water, 5,360 mg/L at 25 deg C |
Specification: |
The Acide aspartique, with the CAS registry number 25608-40-6, has the IUPAC name of (2S)-2-aminobutanedioic acid. And the molecular formula of the chemical is C4H5NO3.
The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0; (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: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 100.62 Å2; (10)Index of Refraction: 1.531; (11)Molar Refractivity: 27.203 cm3; (12)Molar Volume: 87.868 cm3; (13)Polarizability: 10.784×10-24cm3; (14)Surface Tension: 78.206 dyne/cm; (15)Density: 1.515 g/cm3; (16)Flash Point: 113.536 °C; (17)Enthalpy of Vaporization: 55.259 kJ/mol; (18)Boiling Point: 264.121 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C([C@@H](C(=O)O)N)C(=O)O
(2)InChI: InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
(3)InChIKey: CKLJMWTZIZZHCS-REOHCLBHBW
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