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Benzenecarboximidamide,4-amino-, hydrochloride (1:1) (7761-72-0)

Identification
Name:Benzenecarboximidamide,4-amino-, hydrochloride (1:1)
Synonyms:Benzamidine,p-amino-, monohydrochloride (8CI);Benzenecarboximidamide, 4-amino-,monohydrochloride (9CI);4-Aminobenzamidine monohydrochloride;p-Aminobenzamidine hydrochloride;
CAS:7761-72-0
Molecular Formula: C7H9N3.HCl
Molecular Weight: 171.63
InChI: InChI=1/C7H9N3.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H3,9,10);1H
Molecular Structure: (C7H9N3.HCl) Benzamidine,p-amino-, monohydrochloride (8CI);Benzenecarboximidamide, 4-amino-,monohydrochloride (9C...
Properties
Specification:

The 4-Aminobenzamidine hydrochloride with cas registry number of 7761-72-0,  has the systematic name of 4-aminobenzenecarboximidamide hydrochloride (1:1). And its IUPAC name is the same one. And it is also called Benzenecarboximidamide, 4-amino-, hydrochloride (1:1). This chemical should store at the temperature of 2-8°C.

Physical properties about this chemical are: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.49; (4)ACD/LogD (pH 7.4): -2.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.84 Å2; (13)Enthalpy of Vaporization: 52.91 kJ/mol; (14)Vapour Pressure: 0.00216 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Cl.[N@H]=C(c1ccc(N)cc1)N
(2)InChI: InChI=1/C7H9N3.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H3,9,10);1H
(3)InChIKey: YAVZGKYMGKLGFB-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H9N3.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H3,9,10);1H
(5)Std. InChIKey: YAVZGKYMGKLGFB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 225mg/kg (225mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 16, 1945.
mouse LD50 subcutaneous 102mg/kg (102mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 57, Pg. 81, 1936.
rabbit LDLo subcutaneous 49mg/kg (49mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 57, Pg. 81, 1936.

Storage Temperature: 2-8°C
Safety Data