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Substance Name: Benzenecarboximidamide, hydrochloride (1:1)
RN: 1670-14-0
UNII: 0G112W4L27
InChIKey: LZCZIHQBSCVGRD-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N2.Cl-H

Molecular Weight

  • 156.615
 
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Names and Synonyms

Name of Substance

  • Benzenecarboximidamide, hydrochloride (1:1)

Synonyms

  • AI3-52285
  • Amidinobenzene hydrochloride
  • Amidinobenzene hydrochloride (1:1)
  • Benzamidine hydrochloride
  • Benzamidine, monohydrochloride
  • Benzamidinium chloride
  • Benzenecarboximidamide hydrochloride
  • EINECS 216-795-4
  • NSC 2020
  • UNII-0G112W4L27

Systematic Names

  • Benzamidine, hydrochloride
  • Benzamidinium chloride
  • Benzenecarboximidamide, hydrochloride (1:1)
  • Benzenecarboximidamide, monohydrochloride
  • Benzenecarboximidamide, monohydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 1670-14-0

FDA UNII

  • 0G112W4L27

Other Registry Number

  • 143504-23-8

Related Registry Number

  • 618-39-3 (Parent)

System Generated Number

  • 0001670140

Molecular Formulas

Molecular Formula

  • C7-H8-N2.Cl-H

Molecular Formula Fragments

  • C7-H8-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C7H8N2.ClH/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H3,8,9);1H

InChIKey

LZCZIHQBSCVGRD-UHFFFAOYSA-N

Smiles

c1ccccc1C(=N)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 580mg/kg (580mg/kg) BRAIN AND COVERINGS: MENINGEAL CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Biology of Reproduction. Vol. 20, Pg. 1045, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 86-88 deg C   EXP
pKa Dissociation Constant 11.6 (none) 20 EXP
log P (octanol-water) 0.65 (none)   EXP
Water Solubility 2.79E+04 mg/L 25 EST
Vapor Pressure 0.028 mm Hg 25 EST
Henry's Law Constant 1.83E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.53E-11 cm3/molecule-sec 25 EST

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