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Cas Database |
| Name |
L-Glutamic acid,1,5-bis(phenylmethyl) ester, hydrochloride (1:1) |
EINECS | N/A |
| CAS No. | 4561-10-8 | Density | N/A |
| PSA | 78.62000 | LogP | 4.08300 |
| Solubility | N/A | Melting Point |
102.0 to 106.0 °C |
| Formula | C19H22ClNO4 | Boiling Point | 453.5 °C at 760 mmHg |
| Molecular Weight | 363.841 | Flash Point | 165.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Glutamicacid, dibenzyl ester, hydrochloride (6CI,7CI);Glutamic acid, dibenzyl ester, hydrochloride,L- (8CI);L-Glutamic acid, bis(phenylmethyl) ester, hydrochloride (9CI);Dibenzyl L-glutamate hydrochloride;Dibenzyl glutamate hydrochloride;H-Glu(Obzl)-Obzl.HCl; |
Article Data | 5 |
L-Glutamic acid,1,5-bis(phenylmethyl) ester, hydrochloride (1:1) Specification
The L-Glutamic acid,1,5-bis(phenylmethyl) ester, hydrochloride (1:1), with the CAS registry number 4561-10-8, is also known as L-Glutamic acid, bis(phenylmethyl) ester, hydrochloride. This chemical's molecular formula is C19H22ClNO4 and molecular weight is 363.84. What's more, its IUPAC name is Dibenzyl (2S)-2-aminopentanedioate hydrochloride and systematic name is called Dibenzyl L-glutamate hydrochloride (1:1). This chemical's classification code is Drug / Therapeutic Agent.
Physical properties about L-Glutamic acid,1,5-bis(phenylmethyl) ester, hydrochloride (1:1) are: (1) ACD/LogP: 3.50; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 1; (6) Polar Surface Area: 55.84 Å2; (7) Flash Point: 165.6 °C; (8) Enthalpy of Vaporization: 71.29 kJ/mol; (9) Boiling Point: 453.5 °C at 760 mmHg; (10) Vapour Pressure: 2.06E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(OCc1ccccc1)CC[C@@H](C(=O)OCc2ccccc2)N
(2) InChI: InChI=1/C19H21NO4.ClH/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15;/h1-10,17H,11-14,20H2;1H/t17-;/m0./s1
(3) InChIKey: GRGJVECUQLAEDM-LMOVPXPDBL
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 2gm/kg (2000mg/kg) | Pharmaceutical Chemistry Journal Vol. 25, Pg. 246, 1991. |
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