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CAS No.: | 104086-21-7 |
---|---|
Name: | ethyl 6-(aminomethyl)picolinate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H12N2O2 |
Molecular Weight: | 180.206 |
Synonyms: | Ethyl 6-(aminomethyl)pyridine-2-carboxylate;ethyl 6-(aminomethyl)picolinate; |
Density: | 1.147 g/cm3 |
Boiling Point: | 319.7 °C at 760 mmHg |
Flash Point: | 147.2 °C |
PSA: | 65.21000 |
LogP: | 1.41730 |
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The Ethyl 6-(aminomethyl)pyridine-2-carboxylate, with the CAS registry number 104086-21-7, is also called ethyl 6-(aminomethyl)picolinate. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C9H12N2O2.
The characteristics of Ethyl 6-(aminomethyl)pyridine-2-carboxylate are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3.08; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 65.21 Å2; (10)Index of Refraction: 1.539; (11)Molar Refractivity: 49.2 cm3; (12)Molar Volume: 157 cm3; (13)Polarizability: 19.5×10-24cm3; (14)Surface Tension: 47.3 dyne/cm; (15)Density: 1.147 g/cm3; (16)Flash Point: 147.2 °C; (17)Enthalpy of Vaporization: 56.13 kJ/mol; (18)Boiling Point: 319.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000333 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)c1cccc(n1)CN
(2)InChI: InChI=1/C9H12N2O2/c1-2-13-9(12)8-5-3-4-7(6-10)11-8/h3-5H,2,6,10H2,1H3
(3)InChIKey: SAHOZFWRWQZFCH-UHFFFAOYAU