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Boc-L-aspartic acid 4-benzyl ester

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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 Molecular Structure of 7536-58-5 (Boc-L-aspartic acid 4-benzyl ester) 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

Boc-L-aspartic acid 4-benzyl ester Specification

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

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