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CAS No.: | 4467-54-3 |
---|---|
Name: | H-D-His-OMe 2HCl |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C7H11N3O2.2(HCl) |
Molecular Weight: | 242.10 |
Synonyms: | D-Histidine,methyl ester, dihydrochloride (9CI);Histidine, methyl ester, dihydrochloride,D- (8CI);(R)-Histidine methyl ester dihydrochloride; |
Melting Point: | 197oC |
Boiling Point: | 415.4 °C at 760 mmHg |
Flash Point: | 205 °C |
Hazard Symbols: | C |
Risk Codes: | 14-34 |
Safety: | 26-36/37/39-43-45 |
PSA: | 81.00000 |
LogP: | 0.95480 |
The CAS register number of D-Histidine,methyl ester, hydrochloride (1:2) is 4467-54-3. It also can be called as D-Histidine methyl ester dihydrochloride and the systematic name about this chemical is methyl D-histidinate dihydrochloride. The molecular formula about this chemical is C7H11N3O2.2(HCl) and the molecular weight is 242.10. It belongs to the following product categories, such as Amino Acid Methyl Esters; Amino Acids; Amino Acids (C-Protected); Biochemistry and so on.
Physical properties about D-Histidine,methyl ester, hydrochloride (1:2) are: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 81Å2; (5)Flash Point: 205 °C; (6)Enthalpy of Vaporization: 68.14 kJ/mol; (7)Boiling Point: 415.4 °C at 760 mmHg; (8)Vapour Pressure: 2.67E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can react violently with water and it can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.), also in case of fire use ... (there follows the type of fire-fighting equipment to be used.)
You can still convert the following datas into molecular structure:
(1)SMILES: N[C@H](Cc1cncn1)C(=O)OC.Cl.Cl
(2)InChI: InChI=1/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3-4,6H,2,8H2,1H3,(H,9,10);2*1H/t6-;;/m1../s1
(3)InChIKey: DWAYENIPKPKKMV-QYCVXMPOBC
(4)Std. InChI: InChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3-4,6H,2,8H2,1H3,(H,9,10);2*1H/t6-;;/m1../s1
(5)Std. InChIKey: DWAYENIPKPKKMV-QYCVXMPOSA-N