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132422-42-5

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Basic Information
CAS No.: 132422-42-5
Name: N-CYCLOHEXANEBUTYRYL GLYCINE
Molecular Structure:
Molecular Structure of 132422-42-5 (N-CYCLOHEXANEBUTYRYL GLYCINE)
Formula: C12H21NO3
Molecular Weight: 227.304
Synonyms: (4-CYCLOHEXYL-BUTYRYLAMINO)-ACETIC ACID;N-CYCLOHEXANEBUTYRYL GLYCINE;N-CYANOETHYLANILINE;Glycine, N-(4-cyclohexyl-1-oxobutyl)-
Density: 1.079g/cm3
Boiling Point: 374 °C at 760 mmHg
Flash Point: 180 °C
PSA: 66.40000
LogP: 2.32870
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Specification

The Glycine,N-(4-cyclohexyl-1-oxobutyl)-, with CAS registry number 132422-42-5, has the systematic name of 6-cyclohexyl-3-oxonorleucine. Besides this, it is also called N-Cyclohexanebutyryl glycine. And the chemical formula of this chemical is C12H21NO3.

Physical properties of Glycine,N-(4-cyclohexyl-1-oxobutyl)-: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.49; (8)ACD/KOC (pH 7.4): 3.41; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 60.61 cm3; (15)Molar Volume: 205.8 cm3; (16)Polarizability: 24.03×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 180 °C; (20)Enthalpy of Vaporization: 68.23 kJ/mol; (21)Boiling Point: 374 °C at 760 mmHg; (22)Vapour Pressure: 1.27E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)C(=O)CCCC1CCCCC1
(2)InChI: InChI=1/C12H21NO3/c13-11(12(15)16)10(14)8-4-7-9-5-2-1-3-6-9/h9,11H,1-8,13H2,(H,15,16)
(3)InChIKey: NABIICAILNLMKO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H21NO3/c13-11(12(15)16)10(14)8-4-7-9-5-2-1-3-6-9/h9,11H,1-8,13H2,(H,15,16)
(5)Std. InChIKey: NABIICAILNLMKO-UHFFFAOYSA-N