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Name |
(4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine |
EINECS | N/A |
CAS No. | 130000-78-1 | Density | 1.044 g/cm3 |
PSA | 48.14000 | LogP | 1.86600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H14N2O | Boiling Point | 274.59 °C at 760 mmHg |
Molecular Weight | 166.223 | Flash Point | 119.868 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine; |
Article Data | 5 |
The IUPAC name of this product is (4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine, and its CAS registry number is 130000-78-1. It is also named as 1-(4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine. This chemical's molecular formula is C9H14N2O and molecular weight is 166.22026.
Physical properties about (4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine are: (1)ACD/LogP: 0.98; (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): 5; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 48.14 Å2; (11)Index of Refraction: 1.529; (12)Molar Refractivity: 49.124 cm3; (13)Molar Volume: 159.198 cm3; (14)Polarizability: 19.474×10-24 cm3; (15)Surface Tension: 39.548 dyne/cm; (16)Density: 1.044 g/cm3; (17)Flash Point: 119.868 °C; (18)Enthalpy of Vaporization: 51.299 kJ/mol; (19)Boiling Point: 274.59 °C at 760 mmHg; (20)Vapour Pressure: 0.005 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(OC)c(C)cnc1CN
(2) InChI: InChI=1/C9H14N2O/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4,10H2,1-3H3
(3) InChIKey: CNPVFVHYBKQINB-UHFFFAOYAI