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| CAS No.: | 78056-28-7 |
|---|---|
| Name: | AKOS BC-0240 |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C11H19N |
| Molecular Weight: | 165.279 |
| Synonyms: | 1-Amino-3-methyladamantane; |
| Density: | 1.056 g/cm3 |
| Boiling Point: | 232.206 °C at 760 mmHg |
| Flash Point: | 93.343 °C |
| PSA: | 26.02000 |
| LogP: | 3.00430 |
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Specification
The 3-Methyltricyclo[3.3.1.13,7]decan-1-amine, with the CAS registry number 78056-28-7, is also known as 1-Amino-3-methyladamantane. This chemical's molecular formula is C11H19N and molecular weight is 165.28. What's more, its systematic name is 3-Methyl-1-adamantanamine.
Physical properties of 3-Methyltricyclo[3.3.1.13,7]decan-1-amine are: (1)ACD/LogP: 2.723; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.38; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 50.285 cm3; (15)Molar Volume: 156.527 cm3; (16)Polarizability: 19.935×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.056 g/cm3; (19)Flash Point: 93.343 °C; (20)Enthalpy of Vaporization: 46.889 kJ/mol; (21)Boiling Point: 232.206 °C at 760 mmHg; (22)Vapour Pressure: 0.06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NC12CC3CC(C1)(CC(C2)C3)C
(2)Std. InChI: InChI=1S/C11H19N/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7,12H2,1H3
(3)Std. InChIKey: MWMFMCTUGUZSJJ-UHFFFAOYSA-N