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1H-Pyrazol-5-amine,1-[(2-chlorophenyl)methyl]-

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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 Molecular Structure of 3524-28-5 (1-(2-CHLOROBENZYL)-1H-PYRAZOL-5-AMINE) Hazard Symbols N/A
Synonyms

1-[(2-Chlorophenyl)methyl]pyrazole-5-ylamine;1-(2-Chlorobenzyl)-1H-pyrazol-5-amine;

Article Data 4

1H-Pyrazol-5-amine,1-[(2-chlorophenyl)methyl]- Specification

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

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