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306935-62-6

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Basic Information
CAS No.: 306935-62-6
Name: 2-(HYDROXYAMINO)-2-METHYLCYCLOHEXAN-1-ONE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 306935-62-6 (2-(HYDROXYAMINO)-2-METHYLCYCLOHEXAN-1-ONE HYDROCHLORIDE)
Formula: C7H14ClNO2
Molecular Weight: 179.64
Synonyms: Cyclohexanone,2-(hydroxyamino)-2-methyl-, hydrochloride (9CI);Hydroxy(1-methyl-2-oxocyclohexyl)ammonium chloride;2-(Hydroxyamino)-2-methylcyclohexan-1-one hydrochloride;
Melting Point: 158-163 °C
Boiling Point: 269.5 °C at 760 mmHg
Flash Point: 116.8 °C
Hazard Symbols: IrritantXi
PSA: 49.33000
LogP: 2.05990
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Specification

The Cyclohexanone,2-(hydroxyamino)-2-methyl-, hydrochloride (1:1), with the CAS registry number 306935-62-6, is also known as 2-(Hydroxyamino)-2-methylcyclohexan-1-one hydrochloride. This chemical's molecular formula is C7H14ClNO2 and molecular weight is 179.64. What's more, its systematic name is Hydroxy(1-methyl-2-oxocyclohexyl)ammonium chloride.

Physical properties of Cyclohexanone,2-(hydroxyamino)-2-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.77; (8)ACD/KOC (pH 7.4): 29.84; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Flash Point: 116.8 °C; (14)Enthalpy of Vaporization: 58.95 kJ/mol; (15)Boiling Point: 269.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000958 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C1CCCCC1([NH2+]O)C
(2)InChI: InChI=1S/C7H13NO2.ClH/c1-7(8-10)5-3-2-4-6(7)9;/h8,10H,2-5H2,1H3;1H
(3)InChIKey: OBEFWAUACUUBSK-UHFFFAOYSA-N