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40566-97-0

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Basic Information
CAS No.: 40566-97-0
Name: BenzaMide, 4-hydrazino-, Monohydrochloride
Molecular Structure:
Molecular Structure of 40566-97-0 (BenzaMide, 4-hydrazino-, Monohydrochloride)
Formula: C7H9N3O·ClH
Molecular Weight: 187.629
Synonyms: Benzamide, 4-hydrazino-, monohydrochloride (9CI);(4-Carbamoylphenyl)hydrazine hydrochloride;4-Carboxamidophenylhydrazine hydrochloride;
Boiling Point: 406.1 °C at 760 mmHg
Flash Point: 199.4 °C
PSA: 81.14000
LogP: 2.34670
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Specification

The 4-Hydrazinobenzamide hydrochloride (1:1), with the CAS registry number 40566-97-0, is also known as (4-Carbamoylphenyl)hydrazine hydrochloride. This chemical's molecular formula is C7H9N3O·ClH and molecular weight is 187.63. What's more, its systematic name is 4-Hydrazinobenzamide hydrochloride (1:1). 

Physical properties of 4-Hydrazinobenzamide hydrochloride (1:1) are: (1)ACD/LogP: 0.205; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.20; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 26.96; (8)ACD/KOC (pH 7.4): 30.75; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.14 Å2; (13)Flash Point: 199.4 °C; (14)Enthalpy of Vaporization: 67.06 kJ/mol; (15)Boiling Point: 406.1 °C at 760 mmHg; (16)Vapour Pressure: 5.43E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.NNc1ccc(cc1)C(N)=O
(2)Std. InChI: InChI=1S/C7H9N3O.ClH/c8-7(11)5-1-3-6(10-9)4-2-5;/h1-4,10H,9H2,(H2,8,11);1H
(3)Std. InChIKey: FSBKBFIGWCHKLN-UHFFFAOYSA-N