chempirical

Melem

C6H6N10CAS 1502-47-2218.18 g/mol

Open in Covalent MOL file
NHHNNHNNNHNHNNNH
Guanidine

Properties

Molecular formula
C6H6N10
Molar mass
218.18 g/mol
Exact mass
218.0777 Da
logP
-1.82Crippen estimate
Polar surface area
154.5 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS by 38 ECHA notifiers. Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1502-47-2
SMILES
N=C1Nc2nc(=N)nc3[nH]c(=N)nc(n23)N1
InChIKey
YSRVJVDFHZYRPA-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N10/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6/h(H6,7,8,9,10,11,12,13,14,15)

Weigh it out

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

Names and synonyms

10 names
  • 1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8-triamine
  • 1,3,4,6,7,9,9b-Heptaazaphenalene, 2,5,8-triamino-
  • Cyamelurotriamide
  • 2,6,10-Triamino-s-heptazine
  • 2,5,8-Triamino-1,3,4,6,7,9,9b-heptaazaphenalene
  • Delacal 450
  • Delacal 380
  • Delacal M 350
  • Delacal 420
  • Delacal 360

Work with Melem

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

Elsewhere

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