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Home > Other Heterocycles > 182576-33-6
182576-33-6 | 3,7,12,18-Tetraazabicyclo[12.3.1]octadeca-1(18),14,16-triene
CAS No: 182576-33-6 Catalog No: AG0023ZH MDL No:
Product Description
Catalog Number:
AG0023ZH
Chemical Name:
3,7,12,18-Tetraazabicyclo[12.3.1]octadeca-1(18),14,16-triene
CAS Number:
182576-33-6
Molecular Formula:
C14H24N4
Molecular Weight:
248.3672
IUPAC Name:
3,7,12,18-tetrazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
InChI:
InChI=1S/C14H24N4/c1-2-8-16-11-13-5-3-6-14(18-13)12-17-10-4-9-15-7-1/h3,5-6,15-17H,1-2,4,7-12H2
InChI Key:
VVWBUDKRCATFJA-UHFFFAOYSA-N
SMILES:
C1NCCCNCc2nc(CNCCC1)ccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.2g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
248.374g/mol
Monoisotopic Mass:
248.2g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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