The D-Alanine, 3-amino-, with the CAS registry number 1915-96-4, is also known as DPR. This chemical's molecular formula is C3H8N2O2 and molecular weight is 104.11. What's more, its systematic name is 3-Aminoalanine .
Physical properties of D-Alanine, 3-amino- are: (1)ACD/LogP: -1.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.86; (4)ACD/LogD (pH 7.4): -4.27; (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: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 24.54 cm3; (15)Molar Volume: 80.4 cm3; (16)Polarizability: 9.72×10-24 cm3; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.294 g/cm3; (19)Flash Point: 150.7 °C; (20)Enthalpy of Vaporization: 62.42 kJ/mol; (21)Boiling Point: 325.6 °C at 760 mmHg; (22)Vapour Pressure: 4.58E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)CN
(2)InChI: InChI=1/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)
(3)InChIKey: PECYZEOJVXMISF-UHFFFAOYAH
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