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Name |
1,3-Dimethyl-5-nitroadamantane |
EINECS | N/A |
CAS No. | 6588-68-7 | Density | 1.134 g/cm3 |
PSA | 45.82000 | LogP | 3.53530 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H19NO2 | Boiling Point | 278.275 °C at 760 mmHg |
Molecular Weight | 209.288 | Flash Point | 109.707 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,5-Dimethyl-1-nitroadamantane; |
Article Data | 7 |
Conditions | Yield |
---|---|
With N-hydroxyphthalimide; air; Nitrogen dioxide In various solvent(s) at 70℃; under 760 Torr; for 14h; | 70% |
With nitric acid In neat (no solvent) at 200℃; for 1.5h; | 39% |
With nitric acid; N-hydroxyphthalimide In various solvent(s) at 60℃; for 15h; |
N-hydroxyphthalimide
1,3-dimethyladamantane
α,α,α-trifluorotoluene
1-nitro-3,5-dimethyl-adamantane
Conditions | Yield |
---|---|
With Nitrogen dioxide | 60% |
1,3-dimethyladamantane
A
1,3-dimethyl-5-adamantanol
B
1-nitro-3,5-dimethyl-adamantane
Conditions | Yield |
---|---|
With nitric acid; acetic acid; [H4PVMo11O40] at 82.85℃; under 760 Torr; Title compound not separated from byproducts; | A 10% B 41 % Chromat. |
With nitric acid; acetic acid; [VO(H2O)5]H[PMo12O40] at 82.84℃; Title compound not separated from byproducts.; | A 38 % Chromat. B 56 % Chromat. |
1-nitro-3,5-dimethyl-adamantane
Conditions | Yield |
---|---|
With nitric acid; acetic anhydride at 10℃; for 3h; | 43% |
1-nitro-3,5-dimethyl-adamantane
memantine hydrochloride
Conditions | Yield |
---|---|
Stage #1: 1-nitro-3,5-dimethyl-adamantane With iron; acetic acid at 20℃; for 4.5h; Stage #2: With hydrogenchloride In ethyl acetate for 0.5h; | 449.2 g |
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