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CAS No.: | 774487-83-1 |
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Name: | Bicyclo[2.2.2]octane-1-carboxylic acid, 4-(methylamino)-, methyl ester (9CI) |
Molecular Structure: | |
Formula: | C11H19NO2 |
Molecular Weight: | 197.27 |
Synonyms: | Bicyclo[2.2.2]octane-1-carboxylicacid, 4-(methylamino)-, methyl ester; |
Density: | 1.067 g/cm3 |
Boiling Point: | 253.929 °C at 760 mmHg |
Flash Point: | 107.373 °C |
PSA: | 38.33000 |
LogP: | 1.86270 |
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Methyl 4-(methylamino)bicyclo[2.2.2]octane-1-carboxylate is an organic compound with the formula C11H19NO2, and its systematic name is the same with the product name. With the CAS registry number 774487-83-1, it is also named as Bicyclo[2.2.2]octane-1-carboxylicacid, 4-(methylamino)-, methyl ester. It belongs to the product category of Aminoacid. In addition, the molecular weight is 197.27.
Physical properties of Methyl 4-(methylamino)bicyclo[2.2.2]octane-1-carboxylate are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.72; (4)ACD/LogD (pH 7.4): -1.48; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 54.415 cm3; (15)Molar Volume: 184.859 cm3; (16)Polarizability: 21.572×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.067 g/cm3; (19)Flash Point: 107.373 °C; (20)Enthalpy of Vaporization: 49.134 kJ/mol; (21)Boiling Point: 253.929 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CNC12CCC(CC1)(CC2)C(=O)OC
(2)Std. InChI: InChI=1S/C11H19NO2/c1-12-11-6-3-10(4-7-11,5-8-11)9(13)14-2/h12H,3-8H2,1-2H3
(3)Std. InChIKey: OHESPTXNJUPLHB-UHFFFAOYSA-N