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Home > Other Heterocycles > 736179-85-4
736179-85-4 | 1,3,6-Triazabicyclo[4.2.1]nonane(9CI)
CAS No: 736179-85-4 Catalog No: AG005MHE MDL No:
Product Description
Catalog Number:
AG005MHE
Chemical Name:
1,3,6-Triazabicyclo[4.2.1]nonane(9CI)
CAS Number:
736179-85-4
Molecular Formula:
C6H13N3
Molecular Weight:
127.1875
IUPAC Name:
1,3,6-triazabicyclo[4.2.1]nonane
InChI:
InChI=1S/C6H13N3/c1-2-8-3-4-9(6-8)5-7-1/h7H,1-6H2
InChI Key:
KPQPVUVFJQYJAA-UHFFFAOYSA-N
SMILES:
C1NCN2CN(C1)CC2
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.111g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.191g/mol
Monoisotopic Mass:
127.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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