Basic information
- Name:
L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-cyclohexyl ester
- Superlist Name:
- Boc-L-aspartic acid 4-cyclohexyl ester
- CAS No.:
73821-95-1
- Molecular Structure:
![Molecular Structure of 73821-95-1 (L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 4-cyclohexyl ester)](http://www.lookchem.com/300w/2010/0623/73821-95-1.jpg)
- Formula:
- C15H25NO6
- Molecular Weight:
- 315.36
- 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;
- Density:
- 1.18 g/cm3
- Melting Point:
- 93-95 °C
- Boiling Point:
- 487.2 °C at 760 mmHg
- Flash Point:
- 248.4 °C
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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