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Name |
1H-Pyrazol-5-amine,1-[(2-chlorophenyl)methyl]- |
EINECS | N/A |
CAS No. | 3524-28-5 | Density | 1.31 g/cm3 |
PSA | 43.84000 | LogP | 2.74820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10ClN3 | Boiling Point | 398.2 °C at 760 mmHg |
Molecular Weight | 207.662 | Flash Point | 194.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-[(2-Chlorophenyl)methyl]pyrazole-5-ylamine;1-(2-Chlorobenzyl)-1H-pyrazol-5-amine; |
Article Data | 4 |
The 1H-Pyrazol-5-amine,1-[(2-chlorophenyl)methyl]-, with the CAS registry number 3524-28-5, is also known as 1-(2-Chlorobenzyl)-1H-pyrazol-5-amine. This chemical's molecular formula is C10H10ClN3 and molecular weight is 207.66. What's more, its IUPAC name is 2-[(2-chlorophenyl)methyl]pyrazol-3-amine.
Physical properties of 1H-Pyrazol-5-amine,1-[(2-chlorophenyl)methyl]- are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.97; (6)ACD/BCF (pH 7.4): 3.99; (7)ACD/KOC (pH 5.5): 93.26; (8)ACD/KOC (pH 7.4): 93.67; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 57.05 cm3; (15)Molar Volume: 158.1 cm3; (16)Polarizability: 22.61×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 194.6 °C; (20)Enthalpy of Vaporization: 64.88 kJ/mol; (21)Boiling Point: 398.2 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1Cn2nccc2N
(2)Std. InChI: InChI=1S/C10H10ClN3/c11-9-4-2-1-3-8(9)7-14-10(12)5-6-13-14/h1-6H,7,12H2
(3)Std. InChIKey: OMPYFUBKXQUIGG-UHFFFAOYSA-N