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CAS No.: | 29574-26-3 |
---|---|
Name: | 3-Aminopyrazolinesulfate |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C3H7N3 |
Molecular Weight: | 85.1087 |
Synonyms: | 2-Pyrazoline,3-amino- (7CI,8CI);3-Iminopyrazolidine; |
Density: | 1.47 g/cm3 |
Boiling Point: | 178.3 °C at 760 mmHg |
Flash Point: | 61.6 °C |
PSA: | 50.41000 |
LogP: | -0.28340 |
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The 1H-Pyrazol-3-amine, 4,5-dihydro-, with the CAS registry number 29574-26-3, is also known as 3-Iminopyrazolidine. This chemical's molecular formula is C3H7N3 and molecular weight is 85.11. What's more, its systematic name is 4,5-dihydro-1H-pyrazol-3-amine.
Physical properties of 1H-Pyrazol-3-amine, 4,5-dihydro- are: (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): 2.37; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 50.41 Å2; (10)Index of Refraction: 1.678; (11)Molar Refractivity: 21.83 cm3; (12)Molar Volume: 57.8 cm3; (13)Polarizability: 8.65×10-24cm3; (14)Surface Tension: 61.4 dyne/cm; (15)Density: 1.47 g/cm3; (16)Flash Point: 61.6 °C; (17)Enthalpy of Vaporization: 41.46 kJ/mol; (18)Boiling Point: 178.3 °C at 760 mmHg; (19)Vapour Pressure: 0.997 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NC=1CCNN=1
(2)Std. InChI: InChI=1S/C3H7N3/c4-3-1-2-5-6-3/h5H,1-2H2,(H2,4,6)
(3)Std. InChIKey: KMFMGDTYKKZYSE-UHFFFAOYSA-N