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CAS No.: | 33630-99-8 |
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Name: | 3-Amino-2-pyridinol |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C5H6N2O |
Molecular Weight: | 110.115 |
Synonyms: | 2-Pyridinol,3-amino- (6CI,8CI);2-Hydroxy-3-aminopyridine;3-Amino-1H-pyridin-2-one;3-Amino-2-hydroxypyridine;3-Amino-2-pyridinone;3-Amino-2-pyridone;3-Aminopyridin-2(1H)-one;NSC 279497; |
Density: | 1.208 g/cm3 |
Melting Point: | 118-130 °C |
Boiling Point: | 358.7 °C at 760 mmHg |
Flash Point: | 170.7 °C |
Solubility: | Slightly soluble in water. |
Appearance: | brown to off-white crystalline powder |
Hazard Symbols: | Xi, Xn |
Risk Codes: | 36/37/38-20/21/22 |
Safety: | 37/39-26-36 |
PSA: | 58.88000 |
LogP: | 0.53830 |
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The IUPAC name of 2(1H)-Pyridinone,3-amino- is -amino-1H-pyridin-2-one. With the CAS registry number 33630-99-8, it is also named as 3-Amino-2-pyridinol. The product's categories are Pyridine; Pyridine Series; Pharmacetical; Amines; Pyridines. Besides, it is brown to off-white crystalline powder, which should be stored in sealed, cool and dry place. In addition, its molecular formula is C5H6N2O and molecular weight is 110.11.
The other characteristics of 2(1H)-Pyridinone,3-amino- can be summarized as: (1)ACD/LogP: -1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.33; (4)ACD/LogD (pH 7.4): -2.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 29.29 cm3; (15)Molar Volume: 91.1 cm3; (16)Polarizability: 11.61×10-24cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.208 g/cm3; (19)Flash Point: 170.7 °C; (20)Melting point: 118-130 °C; (21)Enthalpy of Vaporization: 60.42 kJ/mol; (22)Boiling Point: 358.7 °C at 760 mmHg; (23)Vapour Pressure: 2.5E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1C(/N)=C\C=C/N1
(2)InChI: InChI=1/C5H6N2O/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
(3)InChIKey: VTSFNCCQCOEPKF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
(5)Std. InChIKey: VTSFNCCQCOEPKF-UHFFFAOYSA-N