Name: 1-[(4-Hydrazinophenyl)methyl]-1H-1,2,4-triazole hydrochloride
SKU: 154748-67-1

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Basic Information

Molecular Structure:
CAS No.:	154748-67-1
Name:	1-[(4-Hydrazinophenyl)methyl]-1H-1,2,4-triazole hydrochloride
Article Data:	3

Formula:	C₉H₁₂ClN₅
Molecular Weight:	225.681
Synonyms:	1H-1,2,4-Triazole,1-[(4-hydrazinophenyl)methyl]-, monohydrochloride (9CI);[(4-1H-1,2,4-Triazol-1-ylmethyl)phenyl]hydrazinehydrochloride;1H-1,2,4-triazole, 1-[(4-hydrazinylphenyl)methyl]-, hydrochloride (1:1);1-(4-Hydrazinobenzyl)-1H-1,2,4-triazole hydrochloride (1:1);
Boiling Point:	460.6 °C at 760 mmHg
Flash Point:	232.3 °C
PSA:	68.76000
LogP:	2.18730

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Specification

The 1-[(4-Hydrazinophenyl)methyl]-1H-1,2,4-triazole hydrochloride, with the CAS registry number 154748-67-1, is also called 1H-1,2,4-triazole, 1-[(4-hydrazinylphenyl)methyl]-, hydrochloride (1:1). And the molecular formula of this chemical is C₉H₁₂ClN₅.

The physical properties of 1-[(4-Hydrazinophenyl)methyl]-1H-1,2,4-triazole hydrochloride are as following: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.4; (7)ACD/KOC (pH 7.4): 28.39; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 68.76 Å²; (12)Flash Point: 232.3 °C; (13)Enthalpy of Vaporization: 73.51 kJ/mol; (14)Boiling Point: 460.6 °C at 760 mmHg; (15)Vapour Pressure: 6.96E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.NNc2ccc(Cn1cncn1)cc2
(2)InChI: InChI=1/C9H11N5.ClH/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14;/h1-4,6-7,13H,5,10H2;1H
(3)InChIKey: WTSGWKNUHMEHOH-UHFFFAOYAO