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Substance Name: Benzamidine, m-nitro-, hydrochloride
RN: 56406-50-9
InChIKey: DKNQVJWYIUJWNC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H7-N3-O2.Cl-H

Molecular Weight

  • 201.612
 
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Names and Synonyms

Synonyms

  • 3-Nitrobenzenecarboximidamide monohydrochloride
  • EINECS 260-159-9
  • m-Nitrobenzamidine hydrochloride

Systematic Names

  • 3-Nitrobenzamidinium hydrochloride
  • Benzamidine, m-nitro-, hydrochloride
  • Benzenecarboximidamide, 3-nitro-, monohydrochloride (9CI)

Registry Numbers

CAS Registry Number

  • 56406-50-9

Related Registry Number

  • 3459-99-2 (Parent)

System Generated Number

  • 0056406509

Molecular Formulas

Molecular Formula

  • C7-H7-N3-O2.Cl-H

Molecular Formula Fragments

  • C7-H7-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C7H7N3O2.ClH/c8-7(9)5-2-1-3-6(4-5)10(11)12;/h1-4H,(H3,8,9);1H

InChIKey

DKNQVJWYIUJWNC-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)[N+](=O)[O-])C(N)=[NH+].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 46500ug/kg (46.5mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 16, 1945.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 199-201 deg C   EXP
log P (octanol-water) 0.72 (none)   EXP
Water Solubility 6410 mg/L 25 EST
Vapor Pressure 1.11E-04 mm Hg 25 EST
Henry's Law Constant 7.24E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.14E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.