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Name |
(5,6-Dimethoxypyridin-2-yl)methanamine |
EINECS | N/A |
CAS No. | 1112850-40-4 | Density | 1.116 g/cm3 |
PSA | 57.37000 | LogP | 1.25780 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12N2O2 | Boiling Point | 251.832 °C at 760 mmHg |
Molecular Weight | 168.1931 | Flash Point | 106.104 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(5,6-Dimethoxy-2-pyridyl)methanamine; |
Article Data | 6 |
The (5,6-Dimethoxypyridin-2-yl)methanamine has CAS registry number 1112850-40-4. This chemical's molecular formula is C8H12N2O2 and molecular weight is 168.1931. What's more, its systematic name is (5,6-Dimethoxy-2-pyridyl)methanamine.
Physical properties about (5,6-Dimethoxypyridin-2-yl)methanamine are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.46; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 57.37 Å2; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 46.153 cm3; (13)Molar Volume: 150.65 cm3; (14)Polarizability: 18.296×10-24 cm3; (15)Surface Tension: 40.741 dyne/cm; (16)Density: 1.116 g/cm3; (17)Flash Point: 106.104 °C; (18)Enthalpy of Vaporization: 48.916 kJ/mol; (19)Boiling Point: 251.832 °C at 760 mmHg; (20)Vapour Pressure: 0.02 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(nc1OC)CN
(2) InChI: InChI=1/C8H12N2O2/c1-11-7-4-3-6(5-9)10-8(7)12-2/h3-4H,5,9H2,1-2H3
(3) InChIKey: NTAVZWOOCDEXMK-UHFFFAOYAH