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7230-10-6

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Basic Information
CAS No.: 7230-10-6
Name: N-ALPHA,EPSILON-Z-L-BIS-L-LYSINE DICYCLOHEXYLAMMONIUM SALT
Molecular Structure:
Molecular Structure of 7230-10-6 (N-ALPHA,EPSILON-Z-L-BIS-L-LYSINE DICYCLOHEXYLAMMONIUM SALT)
Formula: C9H15NO2
Molecular Weight: 169.2209
Synonyms: Z-LYS(Z)-OH DCHA;N-ALPHA,EPSILON-Z-L-BIS-L-LYSINE DICYCLOHEXYLAMMONIUM SALT
Density: 1.016 g/cm3
Boiling Point: 346.4 °C at 760 mmHg
Flash Point: 154.3 °C
PSA: 49.66000
LogP: 1.15610
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Specification

The CAS registry number of 6-(2-Methylpropyl)piperidine-2,4-dione is 7230-10-6. Its molecular formula is C9H15NO2 and molecular weight is 169.2209. Its systematic name and IUPAC name are the same which is called 6-(2-Methylpropyl)piperidine-2,4-dione.

Physical properties about 6-(2-Methylpropyl)piperidine-2,4-dione are: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.46; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.42; (8)ACD/KOC (pH 7.4): 13.42; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 45.21 cm3; (14)Molar Volume: 166.4 cm3; (15)Surface Tension: 31.8 dyne/cm; (16)Density: 1.016 g/cm3; (17)Flash Point: 154.3 °C; (18)Enthalpy of Vaporization: 59.06 kJ/mol; (19)Boiling Point: 346.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(CC(C)C)CC(=O)C1
(2)InChI: InChI=1/C9H15NO2/c1-6(2)3-7-4-8(11)5-9(12)10-7/h6-7H,3-5H2,1-2H3,(H,10,12)
(3)InChIKey: VZCBIIIEAPQTIJ-UHFFFAOYAF