Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
D-Aspartic acid 4-tert-butyl ester |
EINECS | N/A |
CAS No. | 64960-75-4 | Density | 1.162 g/cm3 |
PSA | 89.62000 | LogP | 0.83040 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H15NO4 | Boiling Point | 318.7 °C at 760 mmHg |
Molecular Weight | 189.211 | Flash Point | 146.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
D-Asparticacid b-tert-butyl ester; |
Article Data | 2 |
The H-D-Asp(OtBu)-OH, with the CAS registry number 64960-75-4, is also known as D-Aspartic acid, 4-(1,1-dimethylethyl) ester. It belongs to the product categories of Amino Acids Derivatives; Aspartic acid [Asp, D]; Amino Acids and Derivatives. This chemical's molecular formula is C8H15NO4 and molecular weight is 189.21. Its systematic name is called (2R)-2-ammonio-4-tert-butoxy-4-oxobutanoate.
Physical properties of H-D-Asp(OtBu)-OH: (1)ACD/LogP: 0.94; (2)ACD/LogD (pH 5.5): -1.55; (3)ACD/LogD (pH 7.4): -1.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.475; (12)Molar Refractivity: 45.91 cm3; (13)Molar Volume: 162.7 cm3; (14)Surface Tension: 43.6 dyne/cm; (15)Density: 1.162 g/cm3; (16)Flash Point: 146.5 °C; (17)Enthalpy of Vaporization: 61.59 kJ/mol; (18)Boiling Point: 318.7 °C at 760 mmHg; (19)Vapour Pressure: 7.48E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)C[C@H](C([O-])=O)[NH3+]
(2)InChI: InChI=1/C8H15NO4/c1-8(2,3)13-6(10)4-5(9)7(11)12/h5H,4,9H2,1-3H3,(H,11,12)/t5-/m1/s1
(3)InChIKey: MXWMFBYWXMXRPD-RXMQYKEDBP