Boc-L-aspartic acid 4-cyclohexyl ester supplier

Name
Boc-Asp(Ochx)-OH
EINECS
CAS No. 73821-95-1
Article Data5
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point 93-95 °C
Formula C₁₅H₂₅NO₆
Boiling Point 487.2 °C at 760 mmHg
Molecular Weight 315.367
Flash Point 248.4 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-(tert-Butoxycarbonyl)-L-asparticacid b-cyclohexyl ester;N-(tert-Butoxycarbonyl)aspartic acid b-cyclohexyl ester;N-(tert-Butyloxycarbonyl)-L-aspartic acid b-cyclohexyl ester;Boc-Asp(OcHex)-OH;
PSA 101.93000
LogP 2.62120

Boc-L-aspartic acid 4-cyclohexyl ester Specification

The L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-cyclohexyl ester, with the CAS registry number 73821-95-1, is also known as Boc-Asp(OcHex)-OH. It belongs to the product categories of Amino Acids; Boc-Amino Acids and Derivative; Aspartic Acid [Asp, D] and Boc-Amino Acid Series. This chemical's molecular formula is C₁₅H₂₅NO₆ and molecular weight is 315.36. What's more, its systematic name is Boc-L-aspartic acid 4-cyclohexyl ester and IUPAC name is 4-Cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid.

Physical properties about L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-cyclohexyl ester are: (1) ACD/LogP: 3.55; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.29; (4) ACD/LogD (pH 7.4): -0.06 ; (5) ACD/BCF (pH 5.5): 1.63; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 11.27; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 7; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 82.14 Å² ; (13) Index of Refraction: 1.498; (14) Molar Refractivity: 78.43 cm³; (15) Molar Volume: 267.2 cm³; (16) Polarizability: 31.09×10^-24cm³; (17) Surface Tension: 45.7 dyne/cm; (18) Density: 1.18 g/cm³; (19)Flash Point: 248.4 °C; (20) Enthalpy of Vaporization: 82.46 kJ/mol; (21) Boiling Point: 487.2 °C at 760 mmHg; (22) Vapour Pressure: 7.97E-11 mmHg at 25 °C ; (23) Melting point: 93-95 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)NC(CC(=O)OC1CCCCC1)C(=O)O
(2) InChI: InChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)
(3) InChIKey: NLPQIWFEEKQBBN-UHFFFAOYSA-N

Product Name

Boc-Asp(Ochx)-OH

Boc-L-aspartic acid 4-cyclohexyl ester Specification

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