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CAS No.: | 14603-76-0 |
---|---|
Name: | (R)-(-)-2-AMINO-2-METHYLBUTANEDIOIC ACID |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C5H9NO4 |
Molecular Weight: | 147.13 |
Synonyms: | Asparticacid, 2-methyl-, D- (8CI);(R)-2-Methylaspartic acid;2-Methyl-D-aspartic acid;D-a-Methylaspartic acid;a-Methyl-D-aspartic acid; |
Density: | 1.414 g/cm3 |
Melting Point: | 258 °C (decomp) |
Boiling Point: | 259.2 °C at 760 mmHg |
Flash Point: | 110.6 °C |
Appearance: | white fine crystalline powder |
PSA: | 100.62000 |
LogP: | -0.03660 |
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This chemical is called D-Aspartic acid, 2-methyl-, and its systematic name is 2-methyl-D-aspartic acid. With the molecular formula of C5H9NO4, its molecular weight is 147.13. The CAS registry number of this chemical is 14603-76-0.
Other characteristics of the D-Aspartic acid, 2-methyl- can be summarised as followings: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 55.84 Å2; (11)Index of Refraction: 1.524; (12)Molar Refractivity: 31.84 cm3; (13)Molar Volume: 104 cm3; (14)Polarizability: 12.62×10-24cm3; (15)Surface Tension: 68 dyne/cm; (16)Density: 1.414 g/cm3; (17)Flash Point: 110.6 °C; (18)Enthalpy of Vaporization: 54.7 kJ/mol; (19)Boiling Point: 259.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00395 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C[C@@](N)(C(=O)O)C
2.InChI: InChI=1/C5H9NO4/c1-5(6,4(9)10)2-3(7)8/h2,6H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1
3.InChIKey: CWAYDJFPMMUKOI-RXMQYKEDBJ