9-Azabicyclo[3.3.1]nonan-3-one,hydrochloride (1:1) supplier

Name
9-Azabicyclo(3.3.1)nonan-3-one Hydrochloride
EINECS
CAS No. 72761-60-5
Article Data4
CAS DataBase
Density
Solubility
Melting Point
Formula C₈H₁₄ClNO
Boiling Point 277.2 °C at 760 mmHg
Molecular Weight 175.658
Flash Point 121.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9-Azabicyclo[3.3.1]nonan-3-one,hydrochloride (7CI,9CI);9-azabicyclo[3.3.1]nonan-3-one hydrochloride;(1R,5S)-9-azabicyclo[3.3.1]nonan-3-one hydrochloride;
PSA 29.10000
LogP 1.99080

9-Azabicyclo[3.3.1]nonan-3-one,hydrochloride (1:1) Specification

The 9-Azabicyclo[3.3.1]nonan-3-one,hydrochloride (1:1), with the CAS registry number 72761-60-5, is also known as 9-Azabicyclo(3.3.1)nonan-3-one Hydrochloride. It belongs to the product categories of Amines and Anilines; Carbonyl Compounds. This chemical's molecular formula is C₈H₁₄ClNO and molecular weight is 175.66. What's more, its systematic name is 9-azabicyclo[3.3.1]nonan-3-one hydrochloride.

Physical properties of 9-Azabicyclo[3.3.1]nonan-3-one,hydrochloride (1:1) are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 29.1 Å²; (11)Flash Point: 121.4 °C; (12)Enthalpy of Vaporization: 52.61 kJ/mol; (13)Boiling Point: 277.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00353 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Cl.O=C1CC2CCCC(C1)N2
(2)InChI: InChI=1/C8H13NO.ClH/c10-8-4-6-2-1-3-7(5-8)9-6;/h6-7,9H,1-5H2;1H
(3)InChIKey: XGESYOBZBRDUBC-UHFFFAOYAO

Product Name

9-Azabicyclo(3.3.1)nonan-3-one Hydrochloride

9-Azabicyclo[3.3.1]nonan-3-one,hydrochloride (1:1) Specification

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