Boc-L-aspartic acid 4-benzyl ester supplier

Name
Boc-L-aspartic acid 4-benzyl ester
EINECS 231-406-8
CAS No. 7536-58-5
Article Data27
CAS DataBase
Density 1.219 g/cm³
Solubility
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
Appearance white to off-white powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 101.93000
LogP 2.48870

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

Product Name

Boc-L-aspartic acid 4-benzyl ester

Boc-L-aspartic acid 4-benzyl ester Specification

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