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Home > Other Heterocycles > 177937-60-9
177937-60-9 | 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, 4,11-bis(phenylmethyl)-
CAS No: 177937-60-9 Catalog No: AG0025M4 MDL No:
Product Description
Catalog Number:
AG0025M4
Chemical Name:
1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, 4,11-bis(phenylmethyl)-
CAS Number:
177937-60-9
Molecular Formula:
C26H38N4
Molecular Weight:
406.6067
IUPAC Name:
4,11-dibenzyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
InChI:
InChI=1S/C26H38N4/c1-3-9-25(10-4-1)23-29-15-7-13-28-18-17-27(19-21-29)14-8-16-30(22-20-28)24-26-11-5-2-6-12-26/h1-6,9-12H,7-8,13-24H2
InChI Key:
FGVBSRHTSFUPNH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCCN2CCN(CC1)CCCN(CC2)Cc1ccccc1
NSC Number:
708808
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.31g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.618g/mol
Monoisotopic Mass:
406.31g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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