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638-09-5 | 1,3,5-triamineBenzene,hydrochloride(1:3)
CAS No: 638-09-5 Catalog No: AG0039AC MDL No:MFCD00035496
Product Description
Catalog Number:
AG0039AC
Chemical Name:
1,3,5-triamineBenzene,hydrochloride(1:3)
CAS Number:
638-09-5
Molecular Formula:
C6H12Cl3N3
Molecular Weight:
232.5386
MDL Number:
MFCD00035496
IUPAC Name:
benzene-1,3,5-triamine;trihydrochloride
InChI:
InChI=1S/C6H9N3.3ClH/c7-4-1-5(8)3-6(9)2-4;;;/h1-3H,7-9H2;3*1H
InChI Key:
GSPBVFMIOSWQJB-UHFFFAOYSA-N
SMILES:
Nc1cc(N)cc(c1)N.Cl.Cl.Cl
Properties
Complexity:
63.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
232.533g/mol
Monoisotopic Mass:
231.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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