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Name |
3-Pyridinemethanamine,6-(2-thienyl)-, hydrochloride (1:2) |
EINECS | N/A |
CAS No. | 913830-32-7 | Density | 270-272°C |
PSA | 67.15000 | LogP | 4.57310 |
Solubility | N/A | Melting Point |
270-272 |
Formula | C10H12Cl2N2S | Boiling Point | 397.9 °C at 760 mmHg |
Molecular Weight | 263.18668 | Flash Point | 194.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
3-Pyridinemethanamine,6-(2-thienyl)-, dihydrochloride (9CI); |
The 3-Pyridinemethanamine,6-(2-thienyl)-, hydrochloride (1:2), with CAS registry number 913830-32-7, has the systematic name of [6-(2-thienyl)-3-pyridyl]methanamine dihydrochloride. Besides this, it is also called (6-Thien-2-ylpyridin-3-yl)methylamine dihydrochloride. And the chemical formula of this chemical is C10H12Cl2N2S.
Physical properties of 3-Pyridinemethanamine,6-(2-thienyl)-, hydrochloride (1:2): (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.1; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 67.15 Å2; (8)Flash Point: 194.4 °C; (9)Enthalpy of Vaporization: 66.1 kJ/mol; (10)Boiling Point: 397.9 °C at 760 mmHg; (11)Vapour Pressure: 1.01E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(sc1)c2ccc(cn2)CN.Cl.Cl
(2)InChI: InChI=1/C10H10N2S.2ClH/c11-6-8-3-4-9(12-7-8)10-2-1-5-13-10;;/h1-5,7H,6,11H2;2*1H
(3)InChIKey: FWNBHEVGWIALSL-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H10N2S.2ClH/c11-6-8-3-4-9(12-7-8)10-2-1-5-13-10;;/h1-5,7H,6,11H2;2*1H
(5)Std. InChIKey: FWNBHEVGWIALSL-UHFFFAOYSA-N