L-Aspartic acid,N-methyl-, 4-(1,1-dimethylethyl) ester supplier

Name
N-ME-ASP(OTBU)-OH
EINECS
CAS No. 197632-85-2
Density 1.136 g/cm³
Solubility
Melting Point
Formula C₉H₁₇NO₄
Boiling Point 325.569 °C at 760 mmHg
Molecular Weight 203.238
Flash Point 150.699 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-α-Methylaspartic acid-4-t-butyl ester;
PSA 75.63000
LogP 0.78170

L-Aspartic acid,N-methyl-, 4-(1,1-dimethylethyl) ester Specification

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^-24cm³; (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

Product Name

N-ME-ASP(OTBU)-OH

L-Aspartic acid,N-methyl-, 4-(1,1-dimethylethyl) ester Specification

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