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Substance Name: N,N'-Bis(2-methylphenyl)guanidine
RN: 97-39-2
UNII: LL2P01I17O
InChIKey: OPNUROKCUBTKLF-UHFFFAOYSA-N

Note

  • A selective ligand for the sigma binding sites in the brain.

Classification Codes

  • Anticonvulsants
  • Central Nervous System Agents

Molecular Formula

  • C15-H17-N3

Molecular Weight

  • 239.32
 
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Names and Synonyms

Name of Substance

  • 1,3-Ditolylguanidine
  • N,N'-Bis(2-methylphenyl)guanidine

Synonyms

  • 1,3-Bis(o-tolyl)guanidine
  • 1,3-Di-o-tolyguanidine
  • 1,3-Di-o-tolylguanidine
  • 4-12-00-01764 (Beilstein Handbook Reference)
  • AI3-14630
  • Akrochem DOTG
  • BRN 2653884
  • CNS 1001
  • Di-o-tolylguanidine
  • Diorthotolylguanidine
  • DOTG
  • DOTG accelerator
  • DTG
  • EC 202-577-6
  • EINECS 202-577-6
  • Eveite DOTG
  • Guanidine, 1,3-di(2-tolyl)-
  • Guanidine, 1,3-di-o-tolyl-
  • Guanidine, N,N'-bis(2-methylphenyl)-
  • HSDB 5307
  • N,N'-Di-o-tolueylguanidine
  • N,N'-Di-o-tolylguanidine
  • Nocceler DT
  • NSC 132023
  • NSC 473
  • Sanceler DT
  • Soxinol DT
  • UNII-LL2P01I17O
  • USAF A-6598
  • Vulcafor DOTG
  • Vulkacit DOTG
  • Vulkacit dotg/C
  • Vulkacite DOTG

Systematic Names

  • 1,3-Di-o-tolylguanidine
  • Guanidine, 1,3-di-o-tolyl-
  • Guanidine, N,N'-bis(2-methylphenyl)-

Superlist Name

  • Guanidine, 1,3-di-o-tolyl-

Registry Numbers

CAS Registry Number

  • 97-39-2

FDA UNII

  • LL2P01I17O

Other Registry Numbers

  • 132116-33-7
  • 46913-50-2
  • 60297-72-5

Related Registry Number

  • 41130-39-6 (hydrochloride)

System Generated Number

  • 0000097392

Structure Descriptors

InChI

1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)

InChIKey

OPNUROKCUBTKLF-UHFFFAOYSA-N

Smiles

c1(NC(Nc2c(cccc2)C)=N)c(cccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo oral 120mg/kg (120mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Industrial Hygiene. Vol. 13, Pg. 87, 1931.
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LDLo oral 80mg/kg (80mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
rat LD50 oral 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 179 deg C   EXP
log P (octanol-water) 3.990 (none)   EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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