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126320-56-7 | 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetamide, N1,N1,N4,N4,N8,N8,N11,N11-octaethyl-
CAS No: 126320-56-7 Catalog No: AG000SKN MDL No:
Product Description
Catalog Number:
AG000SKN
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetamide, N1,N1,N4,N4,N8,N8,N11,N11-octaethyl-
CAS Number:
126320-56-7
Molecular Formula:
C34H68N8O4
Molecular Weight:
652.9549
IUPAC Name:
N,N-diethyl-2-[4,8,11-tris[2-(diethylamino)-2-oxoethyl]-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide
InChI:
InChI=1S/C34H68N8O4/c1-9-39(10-2)31(43)27-35-19-17-20-37(29-33(45)41(13-5)14-6)25-26-38(30-34(46)42(15-7)16-8)22-18-21-36(24-23-35)28-32(44)40(11-3)12-4/h9-30H2,1-8H3
InChI Key:
JKQNZLKTODZGSY-UHFFFAOYSA-N
SMILES:
CCN(C(=O)CN1CCCN(CCN(CCCN(CC1)CC(=O)N(CC)CC)CC(=O)N(CC)CC)CC(=O)N(CC)CC)CC
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
652.536g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
652.97g/mol
Monoisotopic Mass:
652.536g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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