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CAS No.: | 7575-82-8 |
---|---|
Name: | 1-NITROADAMANTANE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C10H15NO2 |
Molecular Weight: | 181.235 |
Synonyms: | Adamantane,1-nitro- (6CI,7CI,8CI);1-Nitroadamantane;NSC 130990;NSC 235788; |
Density: | 1.19 g/cm3 |
Melting Point: | 159℃ |
Boiling Point: | 277.1 °C at 760 mmHg |
Flash Point: | 121.8 °C |
PSA: | 45.82000 |
LogP: | 2.75510 |
The Tricyclo[3.3.1.13,7]decane,1-nitro- is an organic compound with the formula C10H15NO2. The IUPAC name of this chemical is 1-nitroadamantane. With the CAS registry number 7575-82-8, it is also named as Adamantane, 1-nitro-. The product's category is Adamantane Derivatives.
Physical properties about Tricyclo[3.3.1.13,7]decane,1-nitro- are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 2.69; (3)ACD/LogD (pH 7.4): 2.69; (4)ACD/BCF (pH 5.5): 64.95; (5)ACD/BCF (pH 7.4): 64.95; (6)ACD/KOC (pH 5.5): 690.29; (7)ACD/KOC (pH 7.4): 690.29; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82 Å2; (11)Index of Refraction: 1.545; (12)Molar Refractivity: 48.19 cm3; (13)Molar Volume: 152.2 cm3; (14)Polarizability: 19.1×10-24cm3; (15)Surface Tension: 43.5 dyne/cm; (16)Density: 1.19 g/cm3; (17)Flash Point: 121.8 °C; (18)Enthalpy of Vaporization: 51.56 kJ/mol; (19)Boiling Point: 277.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00463 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)C13CC2CC(CC(C1)C2)C3
(2)InChI: InChI=1/C10H15NO2/c12-11(13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
(3)InChIKey: HONLSNLUVRQMEK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H15NO2/c12-11(13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
(5)Std. InChIKey: HONLSNLUVRQMEK-UHFFFAOYSA-N