37132-68-6

Basic information

• Product Name: 3-AMINOBENZAMIDINE DIHYDROCHLORIDE HYDRATE
• Synonyms: 3-AMINOBENZAMIDINE DIHYDROCHLORIDE;3-AMINOBENZAMIDINE DIHYDROCHLORIDE HYDRATE;M-AMINOBENZAMIDINE DIHYDROCHLORIDE;M-AMINOBENZAMIDINE DIHYDROCHLORIDECRYSTA LLINE;M-AMINOBENZAMIDINE DIHYDROCHLORIDE HYDRATE, 98%;3-Aminobenzamidine·2hydrochloride;3-Aminobenzamidine dihydrochloride hydrate,98%;3-AMinobenzaMidine DiHCL
• CAS NO: 37132-68-6
• Molecular Formula: C₇H₉N₃*2ClH
• Molecular Weight: 226.1
• EINECS: 253-355-0
• Product Categories: Anilines, Aromatic Amines and Nitro Compounds;Imines/Amidines;Nitrogen Compounds;Organic Building Blocks
• Mol File: 37132-68-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: 262-264 °C(lit.)
• Boiling Point: 307.3°Cat760mmHg
• Flash Point: 139.7°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 0.00073mmHg at 25°C
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-AMINOBENZAMIDINE DIHYDROCHLORIDE HYDRATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINOBENZAMIDINE DIHYDROCHLORIDE HYDRATE(37132-68-6)
• EPA Substance Registry System: 3-AMINOBENZAMIDINE DIHYDROCHLORIDE HYDRATE(37132-68-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22-43
• Safety Statements: 36/37/39-26-36-36/37
• WGK Germany: 3
• Hazardous Substances Data: 37132-68-6(Hazardous Substances Data)

Usage

Chemical Properties

White, pink or brownish powder

Uses

3-Aminobenzamidine Dihydrochloride is a reactant that has been used in the synthesis of N-phenylamidines as selective inhibitors of human neuronal nitric oxide synthase.

InChI:InChI=1/C7H9N3.2ClH/c8-6-3-1-2-5(4-6)7(9)10;;/h1-4H,8H2,(H3,9,10);2*1H

Upstream product

• 56406-50-9 3-nitrobenzamidine hydrochloride 

Downstream Products

• 455900-78-4 3-[3-(4-benzylsulfamoyl-phenyl)-thioureido]-benzamidine 
• 1225062-24-7 3-(5-(3-aminophenyl)-4H-1,2,4-triazol-3-yl)-5-bromopyrazin-2-amine 
• 3459-67-4 3-aminobenzamidine monohydrochloride 

Relevant articles and documents

SUBSTITUENT EFFECTS ON THE pKa VALUES OF META- AND PARA-SUBSTITUTED BENSAMIDINIUM IONS

The pKa values of nine para-substituted derivatives of benzamidine (-NH2, -OH, -OCH3, -CH3, -F, -Cl, -Br, -COOC2H5 and -NO2), as well as four meta-substituted derivatives (-NH2, -CH3, -F, and -NO2), were measured by U.V. difference spectroscopy.The pKa values were interpreted in terms of the resonance structures and a strong correlation between the pKa values and the Hammett ? values of the substituent groups was obtained, with ρ = 1.41 +/- 0.08.The field effects of the substituent groups on the pKa values were calculated using the Kirkwood-Westheimer theory: a very small effect was found in the compounds studied.On the other hand, a strong correlation was observed between the pKa values and the charge densities at the central atom of the substituent groups, as calculated by molecular orbital theory.The analysis of these data suggests that the intramolecular charge transfer is an important factor in the consideration of the mechanism by which the substituent groups affect the pKa values.