Products Categories
CAS No.: | 197632-85-2 |
---|---|
Name: | N-ME-ASP(OTBU)-OH |
Molecular Structure: | |
Formula: | C9H17NO4 |
Molecular Weight: | 203.238 |
Synonyms: | (R)-α-Methylaspartic acid-4-t-butyl ester; |
Density: | 1.136 g/cm3 |
Boiling Point: | 325.569 °C at 760 mmHg |
Flash Point: | 150.699 °C |
PSA: | 75.63000 |
LogP: | 0.78170 |
The L-Aspartic acid,N-methyl-, 4-(1,1-dimethylethyl) ester, with the CAS registry number 197632-85-2, is also known as (R)-α-Methylaspartic acid-4-t-butyl ester. This chemical's molecular formula is C9H17NO4 and molecular weight is 203.2356. What's more, its systematic name is called (2R)-2-Amino-4-tert-butoxy-2-methyl-4-oxobutanoic acid.
Physical properties about L-Aspartic acid,N-methyl-, 4-(1,1-dimethylethyl) ester are: (1)ACD/LogP: 1.77; (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: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 89.62 Å2; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 50.551 cm3; (13)Molar Volume: 178.978 cm3; (14)Polarizability: 20.04×10-24 cm3; (15)Surface Tension: 42.124 dyne/cm; (16)Density: 1.136 g/cm3; (17)Flash Point: 150.699 °C; (18)Enthalpy of Vaporization: 62.41 kJ/mol; (19)Boiling Point: 325.569 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C[C@@](CC(=O)OC(C)(C)C)(C(=O)O)N
(2) InChI: InChI=1/C9H17NO4/c1-8(2,3)14-6(11)5-9(4,10)7(12)13/h5,10H2,1-4H3,(H,12,13)/t9-/m1/s1
(3) InChIKey: VIQZVYPYYUPDQY-SECBINFHBA