chempirical

O-Tolylbiguanide

C9H13N5CAS 93-69-6191.24 g/mol

Open in Covalent MOL file
NHHNNHHNH2N
Guanidine

Properties

Molecular formula
C9H13N5
Molar mass
191.24 g/mol
Exact mass
191.1171 Da
Melting point
142–144 °C
logP
0.82Crippen estimate
Polar surface area
97.8 Ų
H-bond donors / acceptors
5 / 2
Rotatable bonds
1

Identifiers

CAS number
93-69-6
SMILES
Cc1ccccc1NC(=N)NC(=N)N
InChIKey
SQZCAOHYQSOZCE-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)

Weigh it out

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

Names and synonyms

23 names · show all
  • Imidodicarbonimidic diamide, N-(2-methylphenyl)-
  • Biguanide, 1-o-tolyl-
  • N-(2-Methylphenyl)imidodicarbonimidic diamide
  • Sopanox
  • o-Tolyldiguanide
  • Aliant
  • 1-o-Tolylbiguanide
  • Vulkacit 1000
  • Eponoc B
  • Nocceler BG
  • Accelerator 1000
  • Proventine 17
  • 1-o-Tolyldiguanide
  • NSC 164906
  • NSC 51980
  • Dimotol
  • Aradur 2844
  • Casamine OTB
  • Accelerator BG
  • 1-(Diaminomethylidene)-2-(2-methylphenyl)guanidine
  • 1-Carbamimidamido-N-(2-methylphenyl)methanimidamide
  • 1-(2-Methylphenyl)biguanide
  • Dyhard OTB

Work with O-Tolylbiguanide

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

Di-O-tolylguanidine97-39-269 % similar 1-(o-Chlorophenyl)biguanide monohydrochloride19579-44-359 % similar Phenylbiguanide102-02-358 % similar N-(2-Methylphenyl)urea614-77-750 % similar O-Tolylthiourea614-78-850 % similar Phenformin114-86-345 % similar 1-(2,4-Difluorophenyl)biguanide hydrochloride66088-52-645 % similar Imidodicarbonimidic diamide, N-(2,5-difluorophenyl)-, hydrochloride (1:1)66088-53-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook