Products Categories
CAS No.: | 57519-09-2 |
---|---|
Name: | N'-Methyl-L-histidine methyl ester |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H13N3O2 |
Molecular Weight: | 183.21 |
Synonyms: | H-His(Nτ-Me)-OMe.2HCl;H-His(Nτ-Me)-OMe·2HCl;Histidine,1-methyl-, methyl ester (7CI); |
Density: | 1.24 g/cm3 |
Boiling Point: | 347.2 °C at 760 mmHg |
Flash Point: | 163.8 °C |
Hazard Symbols: | F |
Risk Codes: | R11 |
PSA: | 70.14000 |
LogP: | 0.96520 |
What can I do for you?
Get Best Price
The L-Histidine, 1-methyl-,methyl ester, with the CAS registry number 57519-09-2, is also known as H-His(Nim-Me)-OMe and 1-Methyl-L-histidine methyl ester. It belongs to the product categories of Histidine [His, H]; Amino Acids and Derivatives; Amino Hydrochloride. This chemical's molecular formula is C8H13N3O2 and molecular weight is 183.21. What's more, its systematic name is called Methyl 1-methyl-L-histidinate.
Physical properties about L-Histidine, 1-methyl-,methyl ester are: (1) ACD/LogP: -1.16; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.61; (4) ACD/LogD (pH 7.4): -1.27; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4):1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 4.34; (9) #H bond acceptors: 5; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 47.36 Å2; (13) Index of Refraction: 1.561; (14) Molar Refractivity: 47.65 cm3; (15) Molar Volume: 147.1 cm3; (16) Polarizability: 18.89×10-24cm3; (17) Surface Tension: 44.1 dyne/cm; (18) Density: 1.24 g/cm3; (19) Flash Point: 163.8 °C; (20) Enthalpy of Vaporization: 59.14 kJ/mol; (21) Boiling Point: 347.2 °C at 760 mmHg; (22) Vapour Pressure: 5.48E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)[C@@H](N)Cc1ncn(c1)C
(2) InChI: InChI=1/C8H13N3O2/c1-11-4-6(10-5-11)3-7(9)8(12)13-2/h4-5,7H,3,9H2,1-2H3/t7-/m0/s1
(3) InChIKey: PQEAVIKJSKOOHN-ZETCQYMHBK