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Home > Other Heterocycles > 864448-31-7
864448-31-7 | 3,7,9-Triazabicyclo[3.3.1]nonane, 3,9-bis(phenylmethyl)-
CAS No: 864448-31-7 Catalog No: AG004XAA MDL No:
Product Description
Catalog Number:
AG004XAA
Chemical Name:
3,7,9-Triazabicyclo[3.3.1]nonane, 3,9-bis(phenylmethyl)-
CAS Number:
864448-31-7
Molecular Formula:
C20H25N3
Molecular Weight:
307.4326
IUPAC Name:
3,9-dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane
InChI:
InChI=1S/C20H25N3/c1-3-7-17(8-4-1)13-22-15-19-11-21-12-20(16-22)23(19)14-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2
InChI Key:
SNGGAGSGIFAHDI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CC2CNCC(C1)N2Cc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.441g/mol
Monoisotopic Mass:
307.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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