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1,3-Dimethyl-5-nitroadamantane CAS NO.6588-68-7
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Keywords
- 1,3-Dimethyl-5-nitroadamantane
- 2-Methyl-N-(2-methylphenyl)benzamide
- 2-Methyl-N-(2-methylphenyl)benzamide
Quick Details
- ProName: 1,3-Dimethyl-5-nitroadamantane
- CasNo: 6588-68-7
- Application: others
- ProductionCapacity: Metric Ton/Day
- Purity: 99,8%
- LimitNum: 0 Metric Ton
Superiority
1,3-Dimethyl-5-nitroadamantane Specification
The 1,3-Dimethyl-5-nitroadamantane, with the CAS registry number 6588-68-7, is also known as 3,5-Dimethyl-1-nitroadamantane. This chemical's molecular formula is C12H19NO2 and molecular weight is 209.28. What's more, its systematic name is 1,3-Dimethyl-5-nitroadamantane.
Physical properties of 1,3-Dimethyl-5-nitroadamantane are: (1)ACD/LogP: 3.646; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 347.28; (6)ACD/BCF (pH 7.4): 347.28; (7)ACD/KOC (pH 5.5): 2292.06; (8)ACD/KOC (pH 7.4): 2292.06; (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: 1.535; (14)Molar Refractivity: 57.52 cm3; (15)Molar Volume: 184.614 cm3; (16)Polarizability: 22.803×10-24cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.134 g/cm3; (19)Flash Point: 109.707 °C; (20)Enthalpy of Vaporization: 51.689 kJ/mol; (21)Boiling Point: 278.275 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)C13CC2(CC(CC(C1)(C2)C)C3)C
(2)Std. InChI: InChI=1S/C12H19NO2/c1-10-3-9-4-11(2,6-10)8-12(5-9,7-10)13(14)15/h9H,3-8H2,1-2H3
(3)Std. InChIKey: FUZZFPVZJGQAKD-UHFFFAOYSA-N