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Home > Other Heterocycles > 1000269-65-7
1000269-65-7 | 2,6,10-TRIAZABICYCLO[9.3.1]PENTADECA-1(15),11,13-TRIENE
CAS No: 1000269-65-7 Catalog No: AG0000BW MDL No:
Product Description
Catalog Number:
AG0000BW
Chemical Name:
2,6,10-TRIAZABICYCLO[9.3.1]PENTADECA-1(15),11,13-TRIENE
CAS Number:
1000269-65-7
Molecular Formula:
C12H19N3
Molecular Weight:
205.2994
IUPAC Name:
2,6,10-triazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
InChI:
InChI=1S/C12H19N3/c1-4-11-10-12(5-1)15-9-3-7-13-6-2-8-14-11/h1,4-5,10,13-15H,2-3,6-9H2
InChI Key:
WLSZEIIAKNCUDA-UHFFFAOYSA-N
SMILES:
C1CCNc2cccc(c2)NCCCN1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.158g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.305g/mol
Monoisotopic Mass:
205.158g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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