D-Aspartic acid 4-tert-butyl ester supplier

Name
D-Aspartic acid 4-tert-butyl ester
EINECS
CAS No. 64960-75-4
Article Data2
CAS DataBase
Density 1.162 g/cm³
Solubility
Melting Point
Formula C₈H₁₅NO₄
Boiling Point 318.7 °C at 760 mmHg
Molecular Weight 189.211
Flash Point 146.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms D-Asparticacid b-tert-butyl ester;
PSA 89.62000
LogP 0.83040

D-Aspartic acid 4-tert-butyl ester Specification

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

Product Name

D-Aspartic acid 4-tert-butyl ester

D-Aspartic acid 4-tert-butyl ester Specification

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