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Cas Database |
| Name |
4,5-Diamino-1-(2-hydroxyethyl)pyrazole |
EINECS | N/A |
| CAS No. | 155601-17-5 | Density | 1.56g/cm3 |
| PSA | 90.09000 | LogP | 0.20220 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H10N4O | Boiling Point | 407.36 °C at 760 mmHg |
| Molecular Weight | 142.161 | Flash Point | 200.164 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 4 |
4,5-Diamino-1-(2-hydroxyethyl)pyrazole 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
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