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5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-methanamine

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Name

5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-methanamine

EINECS N/A
CAS No. 1017785-26-0 Density 1.388 g/cm3
PSA 69.86000 LogP 2.33380
Solubility N/A Melting Point N/A
Formula C10H11FN4 Boiling Point 383.257 °C at 760 mmHg
Molecular Weight 206.2195432 Flash Point 185.587 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1017785-26-0 (4-(Aminomethyl)-1-(4-fluorophenyl)-1H-pyrazol-5-amine) Hazard Symbols N/A
Synonyms

5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-methanamine;

 

5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-methanamine Specification

The 4-(Aminomethyl)-1-(4-fluorophenyl)-1H-pyrazol-5-amine, with the CAS registry number 1017785-26-0, is also known as 5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-methanamine. This chemical's molecular formula is C10H11FN4 and molecular weight is 206.2195432. What's more, its systematic name is 4-(Aminomethyl)-2-(4-fluorophenyl)pyrazol-3-amine.

Physical properties about 4-(Aminomethyl)-1-(4-fluorophenyl)-1H-pyrazol-5-amine 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): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 69.86 Å2; (10)Index of Refraction: 1.651; (11)Molar Refractivity: 54.241 cm3; (12)Molar Volume: 148.53 cm3; (13)Polarizability: 21.503×10-24 cm3; (14)Surface Tension: 52.199 dyne/cm; (15)Density: 1.388 g/cm3; (16)Flash Point: 185.587 °C; (17)Enthalpy of Vaporization: 63.177 kJ/mol; (18)Boiling Point: 383.257 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C .

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1n2c(c(cn2)CN)N)F
(2) InChI: InChI=1/C10H11FN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,5,12-13H2
(3) InChIKey: QBJZLWRZRBQILR-UHFFFAOYAN

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