Di-o-tolylguanidine

C15H17N3CAS 97-39-2239.32 g/mol

Open in Covalent MOL file
NHHNNH
Guanidine

Properties

Molecular formula
C15H17N3
Molar mass
239.32 g/mol
Exact mass
239.1422 Da
Density
1.1 g/mL (at 20 °C)
Melting point
179 °C
logP
3.76Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 2,121 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number
97-39-2
SMILES
Cc1ccccc1NC(=N)Nc1ccccc1C
InChIKey
OPNUROKCUBTKLF-UHFFFAOYSA-N
InChI
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)

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

23 names · show all
  • Guanidine, N,N′-bis(2-methylphenyl)-
  • Guanidine, 1,3-di-o-tolyl-
  • N,N′-Bis(2-methylphenyl)guanidine
  • 1,3-Bis(o-tolyl)guanidine
  • N,N′-Di-o-tolylguanidine
  • DOTG
  • Eveite DOTG
  • Vulkacit DOTG
  • N,N′-Di-o-toluylguanidine
  • 1,3-Di-o-tolylguanidine
  • Nocceler DT
  • 1,3-Di-2-tolylguanidine
  • DTG
  • CNS 1001
  • Soxinol DT
  • Sanceler DT
  • Vulcafor DOTG
  • Akrochem DOTG
  • 1,3-Di-ortho-tolylguanidine
  • NSC 132023
  • NSC 473
  • Rhenogran DOTG 70
  • 1,2-Bis(2-methylphenyl)guanidine

Work with Di-o-tolylguanidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

O-Tolylbiguanide93-69-669 % similar N-(2-Methylphenyl)urea614-77-763 % similar O-Tolylthiourea614-78-863 % similar N-Methyl-o-toluidine611-21-250 % similar N,N′-Bis(2-methylphenyl)thiourea137-97-347 % similar Diphenylguanidine102-06-746 % similar 2-Aminoperimidine hydrobromide40835-96-945 % similar 2-Methylphenylhydrazine hydrochloride635-26-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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