chempirical

1,3,5-Triaminobenzene trihydrochloride

C6H12Cl3N3CAS 638-09-5232.53 g/mol

Open in Covalent MOL file
HClHClHClNH2NH2H2N
Primary amine

Properties

Molecular formula
C6H12Cl3N3
Molar mass
232.53 g/mol
Exact mass
231.0097 Da
Melting point
126 °C
logP
1.70Crippen estimate
Polar surface area
78.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
638-09-5
SMILES
Cl.Cl.Cl.Nc1cc(N)cc(N)c1
InChIKey
GSPBVFMIOSWQJB-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3.3ClH/c7-4-1-5(8)3-6(9)2-4;;;/h1-3H,7-9H2;3*1H

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Names and synonyms

2 names
  • 1,3,5-Benzenetriamine, hydrochloride (1:3)
  • 1,3,5-Benzenetriamine, trihydrochloride

Work with 1,3,5-Triaminobenzene trihydrochloride

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

M-Phenylenediamine hydrochloride541-69-565 % similar 1,4-Diaminobenzene dihydrochloride624-18-060 % similar Benzenamine hydrochloride (1:1)142-04-150 % similar 3,5-Diaminochlorobenzene33786-89-950 % similar 1,2,4,5-Tetraaminobenzene tetrahydrochloride4506-66-550 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-150 % similar 3,5-Diaminobenzoic acid dihydrochloride618-56-450 % similar 1,2,4-Triaminobenzene dihydrochloride615-47-448 % similar

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

Elsewhere

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