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| CAS No.: | 56564-52-4 |
|---|---|
| Name: | H-D-MEPHE-OH HCL |
| Molecular Structure: | |
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| Formula: | C10H13NO2 |
| Molecular Weight: | 179.219 |
| Synonyms: | D-N-Methylphenylalanine;N-Methyl-D-phenylalanine; |
| Density: | 1.126 g/cm3 |
| Boiling Point: | 308.3 °C at 760 mmHg |
| Flash Point: | 140.3 °C |
| PSA: | 49.33000 |
| LogP: | 1.29260 |
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Specification
The N-Me-D-Phe-OH?HCl, with the CAS registry number 56564-52-4, is also known as D-N-Methylphenylalanine. This chemical's molecular formula is C10H13NO2 and molecular weight is 179.22. What's more, its systematic name is N-methyl-D-phenylalanine.
Physical properties of N-Me-D-Phe-OH?HCl are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 50.18 cm3; (12)Molar Volume: 159 cm3; (13)Polarizability: 19.89×10-24cm3; (14)Surface Tension: 44.3 dyne/cm; (15)Density: 1.126 g/cm3; (16)Flash Point: 140.3 °C; (17)Enthalpy of Vaporization: 57.96 kJ/mol; (18)Boiling Point: 308.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000297 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](NC)Cc1ccccc1
(2)InChI: InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1
(3)InChIKey: SCIFESDRCALIIM-SECBINFHSA-N