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CAS No.: | 28491-52-3 |
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Name: | 5-amino-1,2-dihydropyrazol-3-one |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C3H5N3O |
Molecular Weight: | 99.0922 |
Synonyms: | 3-Pyrazolin-5-one,3-amino- (6CI,7CI);Pyrazol-3-ol, 5-amino- (8CI);3-Amino-1H-pyrazol-5-ol;3-Amino-3-pyrazolin-5-one;5-Amino-1,2-dihydro-3H-pyrazol-3-one;5-Amino-1H-pyrazol-3-ol;5-Amino-2,3-dihydro-1H-pyrazol-3-one;5-Amino-3-hydroxy-1H-pyrazole;5-Amino-3-pyrazolone;5-Aminopyrazol-3-ol;NSC 408479;NSC 60188; |
Density: | 1.301 g/cm3 |
Melting Point: | 204℃ |
Boiling Point: | 479.5 °C at 760 mmHg |
Flash Point: | 243.8 °C |
PSA: | 74.67000 |
LogP: | -0.13360 |
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The CAS register number of 3H-Pyrazol-3-one,5-amino-1,2-dihydro- is 28491-52-3. It also can be called as 3-Amino-1H-pyrazol-5-ol and the IUPAC name about this chemical is 5-amino-1,2-dihydropyrazol-3-one. The molecular formula about this chemical is C3H5N3O and the molecular weight is 99.0922.
Physical properties about 3H-Pyrazol-3-one,5-amino-1,2-dihydro- are: (1)ACD/LogP: -1.06; (2)ACD/LogD (pH 5.5): -1.07; (3)ACD/LogD (pH 7.4): -1.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.22; (7)ACD/KOC (pH 7.4): 5.95; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.79 Å2; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 23.81 cm3; (14)Molar Volume: 76.1 cm3; (15)Polarizability: 9.44x10-24cm3; (16)Surface Tension: 43.7 dyne/cm; (17)Density: 1.301 g/cm3; (18)Flash Point: 243.8 °C; (19)Enthalpy of Vaporization: 77.22 kJ/mol; (20)Boiling Point: 479.5 °C at 760 mmHg; (21)Vapour Pressure: 8.06E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C(\N)NN1
(2)InChI: InChI=1/C3H5N3O/c4-2-1-3(7)6-5-2/h1H,(H4,4,5,6,7)
(3)InChIKey: QZBGOTVBHYKUDS-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H,(H4,4,5,6,7)
(5)Std. InChIKey: QZBGOTVBHYKUDS-UHFFFAOYSA-N