Molecular Structure of N-((benzyloxy)carbonyl)-L-aspartate, compound with dicyclohexylamine (1:1) (CAS NO.23632-70-4):
Empirical Formula: C28H44N2O6
Molecular Weight: 504.6588
H bond acceptors: 8
H bond donors: 3
Freely Rotating Bonds: 11
Polar Surface Area: 113.96 Å2
Flash Point: 357.1 °C
Enthalpy of Vaporization: 103 kJ/mol
Boiling Point: 666.9 °C at 760 mmHg
Vapour Pressure: 1.07E-18 mmHg at 25°C
Melting point: 107-109°C
Storage temp: 2-8°C
EINECS: 245-796-2
Product Categories: Amino Acid Derivatives
SMILES: CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(O)=O.C1CCCCC1NC2CCCCC2
InChI: InChI=1/C16H21NO6.C12H23N/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);11-13H,1-10H2/t12-;/m0./s1
N-((benzyloxy)carbonyl)-L-aspartate, compound with dicyclohexylamine (1:1) , with CAS number of 23632-70-4, can be called Z-L-aspartic acid alpha-t-butyl ester dicyclohexylammonium salt . It is a white powder.
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