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CAS No.: | 186413-79-6 |
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Name: | 3-AMINO-2-METHOXY-6-PICOLINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H10N2O |
Molecular Weight: | 138.17 |
Synonyms: | 3-Amino-2-methoxy-6-picoline;3-Pyridinamine,2-methoxy-6-methyl-(9CI);2-Methoxy-6-methylpyridin-3-amine; |
Density: | 1.103 g/cm3 |
Boiling Point: | 246.688 °C at 760 mmHg |
Flash Point: | 102.993 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 48.14000 |
LogP: | 1.56200 |
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The IUPAC name of 3-Amino-2-methoxy-6-picoline is 2-methoxy-6-methylpyridin-3-amine. With the CAS registry number 186413-79-6, it is also named as 3-Pyridinamine, 2-methoxy-6-methyl-. The product's categories are Pyridine; Amineprimary. In addition, its molecular formula is C7H10N2O and molecular weight is 138.1671.
The other characteristics of 3-Amino-2-methoxy-6-picoline can be summarized as: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 109; (8)ACD/KOC (pH 7.4): 118; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.14 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 40.084 cm3; (15)Molar Volume: 125.215 cm3; (16)Polarizability: 15.89×10-24cm3; (17)Surface Tension: 43.499 dyne/cm; (18)Density: 1.103 g/cm3; (19)Flash Point: 102.993 °C; (20)Enthalpy of Vaporization: 48.382 kJ/mol; (21)Boiling Point: 246.688 °C at 760 mmHg; (22)Vapour Pressure: 0.027 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1nc(ccc1N)C)C
(2)InChI: InChI=1/C7H10N2O/c1-5-3-4-6(8)7(9-5)10-2/h3-4H,8H2,1-2H3
(3)InChIKey: PCFDAJOZHXUBES-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H10N2O/c1-5-3-4-6(8)7(9-5)10-2/h3-4H,8H2,1-2H3
(5)Std. InChIKey: PCFDAJOZHXUBES-UHFFFAOYSA-N