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40513-34-6

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Basic Information
CAS No.: 40513-34-6
Name: 2-HEXANONE, 3-AMINO-5-METHYL-
Molecular Structure:
Molecular Structure of 40513-34-6 (2-HEXANONE, 3-AMINO-5-METHYL-)
Formula: C7H15NO
Molecular Weight: 129.2
Synonyms: NSC 242674;3-Amino-5-Methyl-2-Hexanon;
Density: 0.887 g/cm3
Boiling Point: 174.2 °C at 760 mmHg
Flash Point: 59.2 °C
PSA: 43.09000
LogP: 1.64910
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Specification

The CAS register number of 2-Hexanone,3-amino-5-methyl- is 40513-34-6. It also can be called as 3-Amino-5-Methyl-2-Hexanon and the IUPAC name about this chemical is 3-amino-5-methylhexan-2-one. The molecular formula about this chemical is C7H15NO and the molecular weight is 129.2. It belongs to the Acetylgroup.

Physical properties about 2-Hexanone,3-amino-5-methyl- are: (1)ACD/LogP: 0.86; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 20.31Å2; (6)Index of Refraction: 1.434; (7)Molar Refractivity: 37.96 cm3; (8)Molar Volume: 145.6 cm3; (9)Polarizability: 15.04x10-24cm3; (10)Surface Tension: 29.5 dyne/cm; (11)Flash Point: 59.2 °C; (12)Enthalpy of Vaporization: 41.06 kJ/mol; (13)Boiling Point: 174.2 °C at 760 mmHg; (14)Vapour Pressure: 1.22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)C(N)CC(C)C
(2)InChI: InChI=1/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3
(3)InChIKey: RVCJZAGFTBLSSU-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3
(5)Std. InChIKey: RVCJZAGFTBLSSU-UHFFFAOYSA-N