CAS No.7761-72-0,4-AMINOBENZAMIDINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7761-72-0
Name:	4-AMINOBENZAMIDINE HYDROCHLORIDE
Article Data:	5

Formula:	C₇H₉N₃^.HCl
Molecular Weight:	171.63
Synonyms:	Benzamidine,p-amino-, monohydrochloride (8CI);Benzenecarboximidamide, 4-amino-,monohydrochloride (9CI);4-Aminobenzamidine monohydrochloride;p-Aminobenzamidine hydrochloride;
Boiling Point:	289.8 °C at 760 mmHg
Flash Point:	129 °C
PSA:	75.89000
LogP:	2.73610

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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)	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.