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1000269-66-8 | 2,5,8,11-TETRAAZABICYCLO[10.3.1]HEXADECA-1(16),12,14-TRIENE
CAS No: 1000269-66-8 Catalog No: AG0000BV MDL No:
Product Description
Catalog Number:
AG0000BV
Chemical Name:
2,5,8,11-TETRAAZABICYCLO[10.3.1]HEXADECA-1(16),12,14-TRIENE
CAS Number:
1000269-66-8
Molecular Formula:
C12H20N4
Molecular Weight:
220.3140
IUPAC Name:
2,5,8,11-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-triene
InChI:
InChI=1S/C12H20N4/c1-2-11-10-12(3-1)16-9-7-14-5-4-13-6-8-15-11/h1-3,10,13-16H,4-9H2
InChI Key:
IXWIIPSJBDNMGS-UHFFFAOYSA-N
SMILES:
C1NCCNCCNc2cc(NC1)ccc2
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.169g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
220.32g/mol
Monoisotopic Mass:
220.169g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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