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112193-83-6 | 1-Benzyl-1,4,7,10-tetraazacyclododecane
CAS No: 112193-83-6 Catalog No: AG003DZ9 MDL No:MFCD09263310
Product Description
Catalog Number:
AG003DZ9
Chemical Name:
1-Benzyl-1,4,7,10-tetraazacyclododecane
CAS Number:
112193-83-6
Molecular Formula:
C15H26N4
Molecular Weight:
262.3937
MDL Number:
MFCD09263310
IUPAC Name:
1-benzyl-1,4,7,10-tetrazacyclododecane
InChI:
InChI=1S/C15H26N4/c1-2-4-15(5-3-1)14-19-12-10-17-8-6-16-7-9-18-11-13-19/h1-5,16-18H,6-14H2
InChI Key:
FURLCQRFFWBENR-UHFFFAOYSA-N
SMILES:
N1CCN(CCNCCNCC1)Cc1ccccc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.216g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.401g/mol
Monoisotopic Mass:
262.216g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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