Basic information
- Name:
Norleucine, 5-methyl-3-oxo-, methyl ester
- CAS No.:
54011-39-1
- Molecular Structure:
- Formula:
- C8H15NO3
- Molecular Weight:
- 173.21
- Synonyms:
- Methyl 2-amino-5-methyl-3-oxo-hexanoate;
- Density:
- 1.046 g/cm3
- Boiling Point:
- 221.581 °C at 760 mmHg
- Flash Point:
- 66.094 °C
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Specification
The Norleucine, 5-methyl-3-oxo-, methyl ester has the CAS registry number 54011-39-1. This chemical's molecular formula is C8H15NO3 and molecular weight is 173.21. What's more, its systematic name is methyl 2-amino-5-methyl-3-oxo-hexanoate.
Physical properties of Norleucine, 5-methyl-3-oxo-, methyl ester are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.068; (5)ACD/BCF (pH 5.5): 3.419; (6)ACD/BCF (pH 7.4): 3.815; (7)ACD/KOC (pH 5.5): 81.305; (8)ACD/KOC (pH 7.4): 90.715; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 69.39 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 44.369 cm3; (15)Molar Volume: 165.622 cm3; (16)Polarizability: 17.589×10-24cm3; (17)Surface Tension: 35.414 dyne/cm; (18)Density: 1.046 g/cm3; (19)Flash Point: 66.094 °C; (20)Enthalpy of Vaporization: 45.803 kJ/mol; (21)Boiling Point: 221.581 °C at 760 mmHg; (22)Vapour Pressure: 0.106 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CC(=O)C(C(=O)OC)N
(2)InChI: InChI=1S/C8H15NO3/c1-5(2)4-6(10)7(9)8(11)12-3/h5,7H,4,9H2,1-3H3
(3)InChIKey: AEUWYJYBFZJNDG-UHFFFAOYSA-N