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Home > Other Heterocycles > 1630907-28-6
1630907-28-6 | 3,9-Dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane dihydrochloride
CAS No: 1630907-28-6 Catalog No: AG00HYUP MDL No:
Product Description
Catalog Number:
AG00HYUP
Chemical Name:
3,9-Dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane dihydrochloride
CAS Number:
1630907-28-6
Molecular Formula:
C20H27Cl2N3
Molecular Weight:
380.3545
IUPAC Name:
3,9-dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane;dihydrochloride
InChI:
InChI=1S/C20H25N3.2ClH/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;2*1H
InChI Key:
ZXOOIHFQTFYELR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CC2CNCC(C1)N2Cc1ccccc1.Cl.Cl
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
380.357g/mol
Monoisotopic Mass:
379.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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