-
Name
2-nitroadamantane
- EINECS
- CAS No. 54564-31-7
- Article Data6
- CAS DataBase
- Density 1.18 g/cm3
- Solubility
- Melting Point
- Formula C10H15NO2
- Boiling Point 285.9 °C at 760 mmHg
- Molecular Weight 181.231600
- Flash Point 128.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Nitrotricyclo(3.3.1.1(3,7))decane;
- PSA 45.82000
- LogP 2.61100
Tricyclo[3.3.1.13,7]decane,2-nitro- Specification
The Tricyclo[3.3.1.13,7]decane,2-nitro-, with the CAS registry number of 54564-31-7, is also known as 2-Nitrotricyclo(3.3.1.1(3,7))decane. Its molecular formula is C10H15NO2 and molecular weight is 181.231600. What's more, its IUPAC name is 2-Nitroadamantane. It can inhibit lymphocyte proliferation.
Physical properties about the Tricyclo[3.3.1.13,7]decane,2-nitro- are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 66.31; (6)ACD/BCF (pH 7.4): 57.2; (7)ACD/KOC (pH 5.5): 700.23; (8)ACD/KOC (pH 7.4): 604.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 48.14 cm3; (15)Molar Volume: 153 cm3; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 128.5 °C; (19)Enthalpy of Vaporization: 52.5 kJ/mol; (20)Boiling Point: 285.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00272 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)C3C1CC2CC3CC(C1)C2
(2) InChI: InChI=1/C10H15NO2/c12-11(13)10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
(3) InChIKey: ZFSCSQSQXFIKKH-UHFFFAOYAS
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