O-Tolylbiguanide

C₉H₁₃N₅CAS 93-69-6191.24 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 5 / 2
Rotatable bonds: 1

Hazards

Danger

H302+H332 Harmful if swallowed or if inhaled12.2% of notifiers
H302 Harmful if swallowed39% of notifiers
H315 Causes skin irritation16% of notifiers
H317 May cause an allergic skin reaction74.9% of notifiers
H318 Causes serious eye damage75.1% of notifiers
H319 Causes serious eye irritation17.4% of notifiers
H332 Harmful if inhaled13.8% of notifiers
H335 May cause respiratory irritation15.5% of notifiers
H412 Harmful to aquatic life with long lasting effects61.3% of notifiers

Aggregated from 362 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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