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Name |
Boc-L-aspartic acid 4-benzyl ester |
EINECS | 231-406-8 |
CAS No. | 7536-58-5 | Density | 1.219 g/cm3 |
PSA | 101.93000 | LogP | 2.48870 |
Solubility | N/A | Melting Point |
98-102 °C |
Formula | C16H21NO6 | Boiling Point | 508.1 °C at 760 mmHg |
Molecular Weight | 323.346 | Flash Point | 261.1 °C |
Transport Information | N/A | Appearance | white to off-white powder |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Asparticacid, N-carboxy-, 4-benzyl N-tert-butylester, L- (8CI);(S)-2-tert-Butoxycarbonylaminosuccinic acid 4-benzyl ester;N-(tert-Butoxycarbonyl)aspartic acid b-benzyl ester;N-(tert-Butyloxycarbonyl)-L-asparticacid b-benzyl ester;N-(tert-Butyloxycarbonyl)-b-benzyl-L-aspartic acid;N-[(1,1-Dimethylethoxy)carbonyl]-L-aspartic acid 4-(phenylmethyl)ester;N-tert-Butoxycarbonyl-L-aspartic acid 4-benzylester;N-tert-Butoxycarbonyl-L-aspartic acid b-benzyl ester;b-Benzyl N-tert-butoxycarbonylaspartate; |
Article Data | 27 |
The Boc-Asp(OBzl)-OH, with the CAS registry number 7536-58-5, is also known as . It belongs to the product categories of Amino Acids; Aspartic Acid [Asp, D]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino Acid Series. Its EINECS registry number is 231-406-8. This chemical's molecular formula is C16H21NO6 and molecular weight is 323.34104. Its IUPAC name is called 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid. The product which can be used in peptide synthesis should be sealed and stored in dry place at temperature of 0 °C. When you are using this chemical, please be cautious about it. You should not breathe its dust. Besides, you must avoid contacting it with skin and eyes.
Physical properties of Boc-Asp(OBzl)-OH: (1)ACD/LogP: 3.24; (2)ACD/LogD (pH 5.5): 0.98; (3)ACD/LogD (pH 7.4): -0.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.51; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.526; (12)Molar Refractivity: 81.49 cm3; (13)Molar Volume: 265.1 cm3; (14)Surface Tension: 46.8 dyne/cm; (15)Density: 1.219 g/cm3; (16)Flash Point: 261.1 °C; (17)Enthalpy of Vaporization: 81.95 kJ/mol; (18)Boiling Point: 508.1 °C at 760 mmHg; (19)Vapour Pressure: 3.81E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)O
(2)InChI: InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2, 1-3H3,(H,17,21)(H,19,20)
(3)InChIKey: SOHLZANWVLCPHK-UHFFFAOYSA-N