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102632-51-9 | 6,6'-Bi-1,4,8,11-tetraazacyclotetradecane
CAS No: 102632-51-9 Catalog No: AG0007ZY MDL No:
Product Description
Catalog Number:
AG0007ZY
Chemical Name:
6,6'-Bi-1,4,8,11-tetraazacyclotetradecane
CAS Number:
102632-51-9
Molecular Formula:
C20H46N8
Molecular Weight:
398.6328
IUPAC Name:
6-(1,4,8,11-tetrazacyclotetradec-6-yl)-1,4,8,11-tetrazacyclotetradecane
InChI:
InChI=1S/C20H46N8/c1-3-21-7-11-25-15-19(16-26-12-8-22-4-1)20-17-27-13-9-23-5-2-6-24-10-14-28-18-20/h19-28H,1-18H2
InChI Key:
KQMSYFWGOQIZPD-UHFFFAOYSA-N
SMILES:
N1CCNCCCNCCNCC(C1)C1CNCCNCCCNCCNC1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.385g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
398.644g/mol
Monoisotopic Mass:
398.385g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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