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3-Amino-2-pyridinol

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Name

3-Amino-2-pyridinol

EINECS N/A
CAS No. 33630-99-8 Density 1.208 g/cm3
PSA 58.88000 LogP 0.53830
Solubility Slightly soluble in water. Melting Point 118-130 °C
Formula C5H6N2O Boiling Point 358.7 °C at 760 mmHg
Molecular Weight 110.115 Flash Point 170.7 °C
Transport Information N/A Appearance brown to off-white crystalline powder
Safety 37/39-26-36 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 33630-99-8 (3-Amino-2-pyridinol) Hazard Symbols IrritantXi, HarmfulXn
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;

Article Data 40

3-Amino-2-pyridinol Specification

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

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