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

Name
9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one
EINECS
CAS No. 2291-59-0
Density 1.11 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 20.31000
LogP 3.51250

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

Product Name

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

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

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