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Cas Database |
| Name |
L-Aspartic acid dibenzyl ester hydrochloride |
EINECS | N/A |
| 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 |
|
Hazard Symbols | N/A |
| Synonyms |
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
(3)InChIKey: ILBZEWOOBCRRAP-UHFFFAOYSA-M
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