Diminazene

C14H15N7CAS 536-71-0281.32 g/mol

Open in Covalent MOL file
HNH2NNNNHHNNH2
AmidineSecondary amine

Properties

Molecular formula
C14H15N7
Molar mass
281.32 g/mol
Exact mass
281.1389 Da
logP
2.37Crippen estimate
Polar surface area
136.5 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
5

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 35 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P302+P352, P308+P316, P319, P321, P332+P317, P362+P364, P405, P501

Identifiers

CAS number
536-71-0
SMILES
N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1
InChIKey
XNYZHCFCZNMTFY-UHFFFAOYSA-N
InChI
InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)

Weigh it out

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

Names and synonyms

7 names
  • Benzenecarboximidamide, 4,4′-(1-triazene-1,3-diyl)bis-
  • Benzamidine, 4,4′-(diazoamino)di-
  • 4,4′-(1-Triazene-1,3-diyl)bis[benzenecarboximidamide]
  • 1,3-Bis(p-amidinophenyl)triazene
  • 4,4′-Diamidinodiazoaminobenzene
  • WR 27800
  • MP 601206

Work with Diminazene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Berenil908-54-3Salt

Similar compounds

p-Aminobenzamidine dihydrochloride2498-50-244 % similar 1,3-Diphenyltriazene136-35-644 % similar 4-Chlorobenzamidine hydrochloride14401-51-543 % similar p-Hydroxybenzamidine monohydrochloride38148-63-943 % similar 4-Fluorobenzamidine hydrochloride456-14-443 % similar 4-Bromobenzene-1-carboximidamide hydrochloride55368-42-843 % similar 4-Methylbenzamidine hydrochloride6326-27-843 % similar Benzamidine hydrochloride1670-14-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook