Norleucine, 5-methyl-3-oxo-, methyl ester supplier

Name
Methyl 2-aMino-5-Methyl-3-oxohexanoate
EINECS
CAS No. 54011-39-1
Density 1.046 g/cm³
Solubility
Melting Point
Formula C₈H₁₅NO₃
Boiling Point 221.581 °C at 760 mmHg
Molecular Weight 173.212
Flash Point 66.094 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-amino-5-methyl-3-oxo-hexanoate;
PSA 69.39000
LogP 0.80220

Norleucine, 5-methyl-3-oxo-, methyl ester 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

Product Name

Methyl 2-aMino-5-Methyl-3-oxohexanoate

Norleucine, 5-methyl-3-oxo-, methyl ester Specification

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