The 5-Methyl-D-norleucine, with the CAS registry number 138751-02-7, has the systematic name of D-norleucine, 5-methyl-. It belongs to the product category of Amino Acids. And the molecular formula of the chemical is C7H15NO2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 39.49 cm3; (13)Molar Volume: 143.1 cm3; (14)Polarizability: 15.65×10-24cm3; (15)Surface Tension: 38.3 dyne/cm; (16)Density: 1.014 g/cm3; (17)Flash Point: 101 °C; (18)Enthalpy of Vaporization: 52.91 kJ/mol; (19)Boiling Point: 243.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0106 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)CC[C@H](C(=O)O)N
(2)InChI: InChI=1/C7H15NO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
(3)InChIKey: FMUMEWVNYMUECA-ZCFIWIBFBJ
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