Boc-L-Aspartic acid 1-tert-butyl ester supplier

Name
Boc-Asp-OtBu
EINECS 1592732-453-0
CAS No. 34582-32-6
Article Data18
CAS DataBase
Density 1.139 g/cm³
Solubility
Melting Point 101-103?C
Formula C₁₃H₂₃NO₆
Boiling Point 429.011 °C at 760 mmHg
Molecular Weight 289.329
Flash Point 213.259 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boc-Asp-OtBu;N-(tert-Butoxycarbonyl)-L-asparticacid a-tert-butyl ester;N-(tert-Butoxycarbonyl)aspartic acid a-tert-butylester;N-tert-Butoxycarbonyl-L-aspartic acid tert-butyl ester;N-a-t-Boc-L-asparticacid a-tert-butyl ester;Boc-L-Aspartic acid 1-tert-butyl ester;
PSA 101.93000
LogP 2.08700

Boc-L-Aspartic acid 1-tert-butyl ester Specification

The Boc-L-Aspartic acid 1-tert-butyl ester, with the CAS registry number 34582-32-6, is also known as N-tert-Butyloxycarbonyl-L-aspartic acid 1-tert-butyl ester. It belongs to the product categories of Amino Acid Derivatives; Aspartic acid [Asp, D]; Boc-Amino Acids and Derivative; Amino Acids & Derivatives; Chiral Reagents; Inhibitors. This chemical's molecular formula is C₁₃H₂₃NO₆ and molecular weight is 289.32. What's more, its systematic name is (3S)-4-[(2-Methyl-2-propanyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoic acid. This chemical should be sealed and stored at the temperature of - 15 °C.

Physical properties of Boc-L-Aspartic acid 1-tert-butyl ester are: (1)ACD/LogP: 2.582; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): -0.67; (5)ACD/BCF (pH 5.5): 1.60; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 17.92; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 101.93 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 70.875 cm³; (15)Molar Volume: 254.002 cm³; (16)Polarizability: 28.097×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.139 g/cm³; (19)Flash Point: 213.259 °C; (20)Enthalpy of Vaporization: 75.038 kJ/mol; (21)Boiling Point: 429.011 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OC(C)(C)C)CC(=O)O
(2)Std. InChI: InChI=1S/C13H23NO6/c1-12(2,3)19-10(17)8(7-9(15)16)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,15,16)/t8-/m0/s1
(3)Std. InChIKey: RAUQRYTYJIYLTF-QMMMGPOBSA-N

Product Name

Boc-Asp-OtBu

Boc-L-Aspartic acid 1-tert-butyl ester Specification

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