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200260-37-3

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Basic Information
CAS No.: 200260-37-3
Name: D-ASPARTIC ACID ALPHA-AMIDE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 200260-37-3 (D-ASPARTIC ACID ALPHA-AMIDE HYDROCHLORIDE)
Formula: C4H8N2O3
Molecular Weight: 132.119
Synonyms: (3R)-4-Amino-3-ammonio-4-oxobutanoate;(3R)-3,4-Diamino-4-oxobutanoic acid;D-Aspartic acid 1-amide;
Density: 1.404 g/cm3
Boiling Point: 404.4 °C at 760 mmHg
Flash Point: 198.4 °C
PSA: 106.41000
LogP: -0.32570
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Specification

The Butanoic acid,3,4-diamino-4-oxo-,(3R)- has CAS registry number 200260-37-3. The molecular formula of this chemical is C4H8N2O3 and its molecular weight is 132.1179. What's more, its systematic name is (3R)-4-Amino-3-ammonio-4-oxobutanoate.

Physical properties about Butanoic acid,3,4-diamino-4-oxo-,(3R)- are: (1)ACD/LogP: -1.51; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 57.61 Å2; (7)Index of Refraction: 1.533; (8)Molar Refractivity: 29.2 cm3; (9)Molar Volume: 94 cm3; (10)Polarizability: 11.57×10-24 cm3; (11)Surface Tension: 71.6 dyne/cm; (12)Density: 1.404 g/cm3; (13)Flash Point: 198.4 °C; (14)Enthalpy of Vaporization: 71.96 kJ/mol; (15)Boiling Point: 404.4 °C at 760 mmHg; (16)Vapour Pressure: 1.14E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C(=O)C[C@H](C(=O)N)[NH3+]
(2) InChI: InChI=1/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m1/s1
(3) InChIKey: PMLJIHNCYNOQEQ-UWTATZPHBN