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58966-93-1 | 1,4,7-Triazonane trihydrochloride
CAS No: 58966-93-1 Catalog No: AG003B0D MDL No:MFCD00074887
Product Description
Catalog Number:
AG003B0D
Chemical Name:
1,4,7-Triazonane trihydrochloride
CAS Number:
58966-93-1
Molecular Formula:
C6H18Cl3N3
Molecular Weight:
238.5862
MDL Number:
MFCD00074887
IUPAC Name:
1,4,7-triazonane;trihydrochloride
InChI:
InChI=1S/C6H15N3.3ClH/c1-2-8-5-6-9-4-3-7-1;;;/h7-9H,1-6H2;3*1H
InChI Key:
HNPMVNQYFPWBKI-UHFFFAOYSA-N
SMILES:
N1CCNCCNCC1.Cl.Cl.Cl
Properties
Complexity:
45.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.057g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
238.581g/mol
Monoisotopic Mass:
237.057g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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