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52320-67-9

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Basic Information
CAS No.: 52320-67-9
Name: N-(2-methyl-1-oxobutyl)-Glycine
Article Data: 2
Molecular Structure:
Molecular Structure of 52320-67-9 (N-(2-methyl-1-oxobutyl)-Glycine)
Formula: C7H13NO3
Molecular Weight: 159.185
Synonyms: a-Methylbutyrylglycine;2-Methylbutyrylglycine;N-(2-Methylbutyryl)glycine;
Density: 1.097 g/cm3
Boiling Point: 371.8 °C at 760 mmHg
Flash Point: 178.7 °C
PSA: 69.89000
LogP: 1.07360
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Specification

The Glycine, N-(2-methyl-1-oxobutyl)-, with the CAS registry number 52320-67-9, is also known as a-Methylbutyrylglycine. This chemical's molecular formula is C7H13NO3 and molecular weight is 159.183. What's more, its IUPAC name is 2-(2-Methylbutanoylamino)acetic acid.

Physical properties about Glycine, N-(2-methyl-1-oxobutyl)- are: (1)ACD/LogP: 0.00; (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: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.458; (12)Molar Refractivity: 39.62 cm3; (13)Molar Volume: 145 cm3; (14)Polarizability: 15.7×10-24 cm3; (15)Surface Tension: 39.1 dyne/cm; (16)Density: 1.097 g/cm3; (17)Flash Point: 178.7 °C; (18)Enthalpy of Vaporization: 67.96 kJ/mol; (19)Boiling Point: 371.8 °C at 760 mmHg; (20)Vapour Pressure: 1.5E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCC(=O)O)C(CC)C
(2) InChI: InChI=1/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)
(3) InChIKey: HOACIBQKYRHBOW-UHFFFAOYAM