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Name |
5-Aminomethyl-1H-pyridin-2-one |
EINECS | N/A |
CAS No. | 131052-84-1 | Density | 1.228g/cm3 |
PSA | 58.88000 | LogP | 0.53390 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H8N2O | Boiling Point | 365.7 °C at 760 mmHg |
Molecular Weight | 124.142 | Flash Point | 175 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-aminomethyl-pyridin-2-ol;5-(aminomethyl)pyridin-2(1H)-one;5-aminomethyl-1H-pyridine-2-one;5-Aminomethyl-1H-pyridin-2-one; |
The 5-Aminomethyl-1H-pyridin-2-one, with CAS registry number 131052-84-1, belongs to the following product category: Pyridine. It has the systematic name of 5-(aminomethyl)pyridin-2-ol. Besides this, it is also called 2(1H)-Pyridinone,5-(aminomethyl)-(9CI). And the chemical formula of this chemical is C6H8N2O.
Physical properties of 5-Aminomethyl-1H-pyridin-2-one: (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): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 59.14 Å2; (10)Index of Refraction: 1.602; (11)Molar Refractivity: 34.67 cm3; (12)Molar Volume: 101 cm3; (13)Polarizability: 13.74×10-24cm3; (14)Surface Tension: 60.8 dyne/cm; (15)Density: 1.228 g/cm3; (16)Flash Point: 175 °C; (17)Enthalpy of Vaporization: 63.61 kJ/mol; (18)Boiling Point: 365.7 °C at 760 mmHg; (19)Vapour Pressure: 7.32E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCc1cnc(O)cc1
(2)InChI: InChI=1/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3,7H2,(H,8,9)
(3)InChIKey: CSVYITCBZGOVBG-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H8N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,3,7H2,(H,8,9)
(5)Std. InChIKey: CSVYITCBZGOVBG-UHFFFAOYSA-N