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| CAS No.: | 155601-17-5 |
|---|---|
| Name: | 2-(4,5-DIAMINO-1H-PYRAZOL-1-YL)ETHANOL |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C5H10N4O |
| Molecular Weight: | 142.161 |
| Synonyms: | 1-(2-Hydroxyethyl)-4,5-diaminopyrazole;4,5-Diamino-1-(2-hydroxyethyl)-1H-pyrazol;4,5-Diamino-1-(2-hydroxyethyl)-1H-pyrazole;4,5-Diamino-1-(2-hydroxyethyl)pyrazole; |
| Density: | 1.56g/cm3 |
| Boiling Point: | 407.36 °C at 760 mmHg |
| Flash Point: | 200.164 °C |
| PSA: | 90.09000 |
| LogP: | 0.20220 |
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- Total:3 Page 1 of 1 1
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Specification
The 4,5-Diamino-1-(2-hydroxyethyl)pyrazole with cas registry number of 155601-17-5, whose systematic name is 2-(4,5-diamino-1H-pyrazol-1-yl)ethanol. And it is also named 2-(4,5-Diamino-1H-pyrazol-1-yl)ethanol.
Physical properties about this chemical are: (1)ACD/LogP: -2.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 90.09 Å2; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 34.726 cm3; (15)Molar Volume: 90.699 cm3; (16)Polarizability: 13.766×10-24cm3; (17)Surface Tension: 74.505 dyne/cm; (18)Enthalpy of Vaporization: 69.513 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:OCCn1ncc(c1N)N;
(2)InChI:InChI=1/C5H10N4O/c6-4-3-8-9(1-2-10)5(4)7/h3,10H,1-2,6-7H2;
(3)InChIKey:KDBUTNSQYYLYOY-UHFFFAOYAW;
(4)Std. InChI:InChI=1S/C5H10N4O/c6-4-3-8-9(1-2-10)5(4)7/h3,10H,1-2,6-7H2;
(5)Std. InChIKey:KDBUTNSQYYLYOY-UHFFFAOYSA-N