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L-Aspartic acid dibenzyl ester hydrochloride

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L-Aspartic acid dibenzyl ester hydrochloride

CAS No. 6327-59-9 Density 1.205g/cm3
PSA 78.62000 LogP 3.69290
Solubility N/A Melting Point 124-125 °C
Formula C18H19NO4.HCl Boiling Point 455.3°C at 760 mmHg
Molecular Weight 349.814 Flash Point 180.6°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6327-59-9 (H-ASP(OBZL)-OBZL HCL) Hazard Symbols N/A

Asparticacid, dibenzyl ester, hydrochloride (6CI);L-Aspartic acid, bis(phenylmethyl)ester, hydrochloride (9CI);Dibenzyl aspartate hydrochloride;NSC 50875;H-ASP(OBZL)-OBZL.HCL;

Article Data 2

L-Aspartic acid dibenzyl ester hydrochloride Specification

The L-Asparticacid, 1,4-bis(phenylmethyl) ester, hydrochloride (1:1), with the CAS registry number , is also known as 6327-59-9. It belongs to the product category of Amino Acids. This chemical's molecular formula is C18H19NO4.HCl and molecular weight is 349.81. Its IUPAC name is called dibenzyl 2-aminobutanedioate chloride.

Physical properties of L-Asparticacid, 1,4-bis(phenylmethyl) ester, hydrochloride (1:1): (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 6; (3)Rotatable Bond Count: 9; (4)Exact Mass: 348.100261; (5)MonoIsotopic Mass: 348.100261; (6)Topological Polar Surface Area: 78.6; (7)Heavy Atom Count: 24; (8)Formal Charge: -1; (9)Complexity: 373; (10)Undefined Atom StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)N.[Cl-]
(2)InChI: InChI=1S/C18H19NO4.ClH/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;/h1-10,16H,11-13,19H2;1H/p-1

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