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7588-15-0

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Basic Information
CAS No.: 7588-15-0
Name: 3-METHYL-3-AZA-BICYCLO[3.3.1]NONAN-9-OL
Molecular Structure:
Molecular Structure of 7588-15-0 (3-METHYL-3-AZA-BICYCLO[3.3.1]NONAN-9-OL)
Formula: C9H17NO
Molecular Weight: 155.24
Synonyms: 3-Methyl-3-azabicyclo[3.3.1]nonan-9-ol;
Density: 1.043 g/cm3
Boiling Point: 259.4 °C at 760 mmHg
Flash Point: 108.5 °C
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Specification

The 3-Azabicyclo[3.3.1]nonan-9-ol, 3-methyl-, with the CAS registry number 7588-15-0, is also known as 3-Methyl-3-aza-bicyclo[3.3.1]nonan-9-ol. This chemical's molecular formula is C9H17NO and molecular weight is 155.2374. What's more, its systematic name is 3-Methyl-3-azabicyclo[3.3.1]nonan-9-ol.

Physical properties about 3-Azabicyclo[3.3.1]nonan-9-ol, 3-methyl- are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.61; (4)ACD/LogD (pH 7.4): -1.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 44.81 cm3; (15)Molar Volume: 148.7 cm3; (16)Polarizability: 17.76×10-24 cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.043 g/cm3; (19)Flash Point: 108.5 °C; (20)Enthalpy of Vaporization: 57.73 kJ/mol; (21)Boiling Point: 259.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0019 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC1C2CCCC1CN(C2)C
(2) InChI: InChI=1/C9H17NO/c1-10-5-7-3-2-4-8(6-10)9(7)11/h7-9,11H,2-6H2,1H3
(3) InChIKey: GTSORJFWHKEXQH-UHFFFAOYAM