L-Aspartic acid 4-cyclohexyl ester supplier

Name
L-Aspartic acid 4-cyclohexyl ester
EINECS 214-359-8
CAS No. 112259-66-2
Article Data6
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₇NO₄
Boiling Point 386.2 °C at 760 mmHg
Molecular Weight 215.249
Flash Point 187.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Asparticacid b-cyclohexyl ester;b-Cyclohexyl aspartate;H-Asp(OcHex)-OH;
PSA 89.62000
LogP 1.36460

L-Aspartic acid 4-cyclohexyl ester Specification

The H-Asp(OcHx)-OH is an organic compound with the formula C₁₀H₁₇NO₄. The systematic name of this chemical is (2S)-2-amino-4-(cyclohexyloxy)-4-oxobutanoic acid (non-preferred name). With the CAS registry number 112259-66-2, it is also named as L-Aspartic acid, 4-cyclohexyl ester. The product's categories are Amino Acids Derivatives; Amino Acids; Aspartic acid [Asp, D]; Amino Acids and Derivatives; Amino ester. It is used in peptide synthesis. Additionally, this chemical should be stored at the temperature of 0 °C.

The other characteristics of this product can be summarized as: (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: 1.51; (12)Molar Refractivity: 53.39 cm³; (13)Molar Volume: 178.2 cm³; (14)Polarizability: 21.16×10^-24cm³; (15)Surface Tension: 50 dyne/cm; (16)Density: 1.2 g/cm³; (17)Flash Point: 187.4 °C; (18)Enthalpy of Vaporization: 69.72 kJ/mol; (19)Boiling Point: 386.2 °C at 760 mmHg; (20)Vapour Pressure: 4.89E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC1CCCCC1)C[C@H](N)C(O)=O
2. InChI:InChI=1/C10H17NO4/c11-8(10(13)14)6-9(12)15-7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H,13,14)/t8-/m0/s1
3. InChIKey:IJAPBBOAGRLKMH-QMMMGPOBBF

Product Name

L-Aspartic acid 4-cyclohexyl ester

L-Aspartic acid 4-cyclohexyl ester Specification

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