CAS No.13512-57-7,BOC-ASN-OBZL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13512-57-7
Name:	BOC-ASN-OBZL
Article Data:	9

Formula:	C₁₆H₂₂N₂O₅
Molecular Weight:	322.361
Synonyms:	Asparagine,N2-carboxy-, benzyl N2-tert-butyl ester, L- (8CI);N-(1,1-Dimethylethoxycarbonyl)-L-asparaginebenzyl ester;N2-(1,1-Dimethylethoxycarbonyl)-L-asparagine benzyl ester;
Density:	1.188 g/cm³
Melting Point:	124-126℃
Boiling Point:	538.624 °C at 760 mmHg
Flash Point:	279.55 °C
PSA:	107.72000
LogP:	2.58970

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Specification

The L-Asparagine,N2-[(1,1-dimethylethoxy)carbonyl]-, phenylmethyl ester is an organic compound with the formula C₁₆H₂₂N₂O₅. The systematic name of this chemical is benzyl N~2~-(tert-butoxycarbonyl)asparaginate. With the CAS registry number 13512-57-7, it is also named as Glutamic acid, N-t-butyloxycarbonyl-, benzyl(ester).

Physical properties about L-Asparagine,N2-[(1,1-dimethylethoxy)carbonyl]-, phenylmethyl ester are: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2.66; (3)ACD/LogD (pH 7.4): 2.66; (4)ACD/BCF (pH 5.5): 61.92; (5)ACD/BCF (pH 7.4): 61.89; (6)ACD/KOC (pH 5.5): 667.09; (7)ACD/KOC (pH 7.4): 666.76; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 76.15Å²; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 83.49 cm³; (14)Molar Volume: 271.3 cm³; (15)Polarizability: 33.1×10^-24cm³; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.188 g/cm³; (18)Flash Point: 279.5 °C; (19)Enthalpy of Vaporization: 81.58 kJ/mol; (20)Boiling Point: 538.6 °C at 760 mmHg; (21)Vapour Pressure: 1.14E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC(C(=O)OCc1ccccc1)CC(=O)N
(2)InChI: InChI=1/C16H22N2O5/c1-16(2,3)23-15(21)18-12(9-13(17)19)14(20)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,17,19)(H,18,21)
(3)InChIKey: VNFPRPGXGYMAKL-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C16H22N2O5/c1-16(2,3)23-15(21)18-12(9-13(17)19)14(20)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H2,17,19)(H,18,21)
(5)Std. InChIKey: VNFPRPGXGYMAKL-UHFFFAOYSA-N