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143282-42-2

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Basic Information
CAS No.: 143282-42-2
Name: (R)-(-)-2-Amino-2-methylbutanedioic Acid Hydrochloride Salt
Article Data: 3
Molecular Structure:
Molecular Structure of 143282-42-2 ((R)-(-)-2-Amino-2-methylbutanedioic Acid Hydrochloride Salt)
Formula: C5H9NO4.ClH
Molecular Weight: 183.592
Synonyms: D-Asparticacid, 2-methyl-, hydrochloride (9CI);[(1R)-1-Aarboxy-3-hydroxy-1-methyl-3-oxo-propyl]ammonium chloride;
Melting Point: 183-186°C (dec.)
Boiling Point: 259.2 °C at 760 mmHg
Flash Point: 110.6 °C
PSA: 100.62000
LogP: 0.76540
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Specification

The CAS registry number of D-Aspartic acid,2-methyl-, hydrochloride (1:1) is 143282-42-2. The systematic name is [(1R)-1-carboxy-3-hydroxy-1-methyl-3-oxo-propyl]ammonium chloride. In addition, the molecular formula is C5H9NO4.ClH and the molecular weight is 183.03. It should be stored in a cool and dry place.

Physical properties about D-Aspartic acid,2-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Flash Point: 110.6 °C; (14)Enthalpy of Vaporization: 54.7 kJ/mol; (15)Boiling Point: 259.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00395 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(CC(=O)O)(C(=O)O)[NH3+].[Cl-]
(2)Std. InChI: InChI=1S/C5H9NO4.ClH/c1-5(6,4(9)10)2-3(7)8;/h2,6H2,1H3,(H,7,8)(H,9,10);1H/t5-;/m1./s1
(3)Std. InChIKey: HZBBMHAVUNSUND-NUBCRITNSA-N