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| CAS No.: | 283-24-9 |
|---|---|
| Name: | 3-AZABICYCLO(3.2.2)NONANE |
| Molecular Structure: | |
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| Formula: | C8H15N |
| Molecular Weight: | 125.214 |
| Synonyms: | NSC 78443; |
| Density: | 0.916 g/cm3 |
| Melting Point: | 163°C |
| Boiling Point: | 188.287 °C at 760 mmHg |
| Flash Point: | 60.78 °C |
| PSA: | 12.03000 |
| LogP: | 1.72480 |
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Specification
The 3-Azabicyclo(3.2.2)Nonane, with the CAS registry number 283-24-9, belongs to the product category of Heterocycles series. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H15N.
The characteristics of 3-Azabicyclo(3.2.2)Nonane are as followings: (1)ACD/LogP: 1.74; (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: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 38.294 cm3; (13)Molar Volume: 136.722 cm3; (14)Polarizability: 15.181×10-24cm3; (15)Surface Tension: 30.716 dyne/cm; (16)Density: 0.916 g/cm3; (17)Flash Point: 60.78 °C; (18)Enthalpy of Vaporization: 42.45 kJ/mol; (19)Boiling Point: 188.287 °C at 760 mmHg; (20)Vapour Pressure: 0.604 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1CC2CCC1CNC2
(2)InChI: InChI=1/C8H15N/c1-2-8-4-3-7(1)5-9-6-8/h7-9H,1-6H2
(3)InChIKey: LICHZOBEUWVYSY-UHFFFAOYAM
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01357, |