Dibenzo[b,e][1,4]dioxine-2,3,7,8-tetraamine tetrahydrochloride
Product Information
Molecular Formula
C12H16Cl4N4O2
Molecular Weight
390.09
Synonyms
dibenzo-p-dioxin-2,3,7,8-tetramine;hydrochloride; DIBENZO[B,E][1,4]DIOXIN-2,3,7,8-TETRAMINE HYDROCHLORIDE (1:4)
IUPAC Name
dibenzo-p-dioxin-2,3,7,8-tetramine;hydrochloride
SMILES
C1=C(C(=CC2=C1OC3=C(O2)C=C(C(=C3)N)N)N)N.Cl
InChI
InChI=1S/C12H12N4O2.ClH/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9;/h1-4H,13-16H2;1H
InChI Key
NTRREUFLUPYQLF-UHFFFAOYSA-N
Purity
97%
Safety Information
Hazards
H302-H315-H319-H335
Precautionary Statement
P261-P280-P301+P312-P302+P352-P305+P351+P338
GHS Pictogram
GHS07
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
280.0727034
Monoisotopic Mass
280.0727034
Topological Polar Surface Area
123
Heavy Atom Count
19
Formal Charge
0
Complexity
259
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes