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L-Histidine, 3-ethyl-,dihydrochloride

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Name

L-Histidine, 3-ethyl-,dihydrochloride

EINECS
CAS No. 35166-54-2 Density
Solubility Melting Point
Formula C8H15Cl2N3O2 Boiling Point 424.8 °C at 760 mmHg
Molecular Weight 256.13 Flash Point 210.7 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 35166-54-2 (L-Histidine, 3-ethyl-,dihydrochloride) Hazard Symbols
Synonyms

Histidine,3-ethyl-, dihydrochloride, L-;Ethyl (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate dihydrochloride;Ethyl L-histidinate dihydrochloride;L-Histidine, 3-ethyl-, dihydrochloride (9CI);

 

L-Histidine, 3-ethyl-,dihydrochloride Specification

The L-Histidine, 3-ethyl-,dihydrochloride, with the CAS registry number 35166-54-2, is also known as Ethyl L-histidinate dihydrochloride. This chemical's molecular formula is C8H15Cl2N3O2 and molecular weight is 256.13. What's more, its systematic name is ethyl (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate dihydrochloride.

Physical properties of L-Histidine, 3-ethyl-,dihydrochloride are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 81 Å2; (6)Flash Point: 210.7 °C; (7)Enthalpy of Vaporization: 69.25 kJ/mol; (8)Boiling Point: 424.8 °C at 760 mmHg; (9)Vapour Pressure: 1.28E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(CC1=CN=CN1)N.Cl.Cl]
(2)InChI: InChI=1S/C8H13N3O2.2ClH/c1-2-13-8(12)7(9)3-6-4-10-5-11-6;;/h4-5,7H,2-3,9H2,1H3,(H,10,11);2*1H]
(3)InChIKey: XAWDMXNJDWMHCN-UHFFFAOYSA-N

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