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9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one

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Name

9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one

EINECS N/A
CAS No. 2291-59-0 Density 1.11 g/cm3
PSA 20.31000 LogP 3.51250
Solubility N/A Melting Point 228 °C (decomp)
Formula C15H19NO Boiling Point 359 °C at 760 mmHg
Molecular Weight 229.32 Flash Point 160.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2291-59-0 (9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one) Hazard Symbols N/A
Synonyms

9-Azabicyclo[3.3.1]nonan-3-one,9-(phenylmethyl)-, hydrochloride (9CI);9-Azabicyclo[3.3.1]nonan-3-one,9-benzyl-, hydrochloride (8CI);Norpseudopelletierine, N-benzyl-, hydrochloride(7CI);9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one;

 

9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one Specification

The systematic name of 9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one is 9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one. With the CAS registry number 2291-59-0, it is also named as 9-Azabicyclo[3.3.1]nonan-3-one,9-(phenylmethyl)-, hydrochloride (1:1). The product's categories are amines and anilines, carbonyl compounds. In addition, its molecular formula is C15H19NO and its molecular weight is 229.32. 

The other characteristics of 9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one can be summarized as: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 2; (4)H bond donors: 0; (5)Freely Rotating Bonds: 2; (6)Polar Surface Area: 20.31 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 67.8 cm3; (9)Molar Volume: 206.5 cm3; (10)Polarizability: 26.88×10-24cm3; (11)Surface Tension: 44.2 dyne/cm; (12)Density: 1.11 g/cm3; (13)Flash Point: 160.2 °C; (14)Enthalpy of Vaporization: 60.46 kJ/mol; (15)Boiling Point: 359 °C at 760 mmHg; (16)Vapour Pressure: 2.44E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C1CC2N(C(C1)CCC2)Cc3ccccc3
(2)InChI:InChI=1/C15H19NO/c17-15-9-13-7-4-8-14(10-15)16(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
(3)InChIKey:BVEFCNSLJKPSEA-UHFFFAOYAI
(4)Std. InChI:InChI=1S/C15H19NO/c17-15-9-13-7-4-8-14(10-15)16(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
(5)Std. InChIKey:BVEFCNSLJKPSEA-UHFFFAOYSA-N

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