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74926-25-3 | 1,2-Diazacyclododec-1-ene, 3,12-bis(1-ethylpropyl)-
CAS No: 74926-25-3 Catalog No: AG005GFM MDL No:
Product Description
Catalog Number:
AG005GFM
Chemical Name:
1,2-Diazacyclododec-1-ene, 3,12-bis(1-ethylpropyl)-
CAS Number:
74926-25-3
Molecular Formula:
C20H40N2
Molecular Weight:
308.5450
IUPAC Name:
3,12-di(pentan-3-yl)-1,2-diazacyclododecene
InChI:
InChI=1S/C20H40N2/c1-5-17(6-2)19-15-13-11-9-10-12-14-16-20(22-21-19)18(7-3)8-4/h17-20H,5-16H2,1-4H3
InChI Key:
NPJTTZZPHPOLFE-UHFFFAOYSA-N
SMILES:
CCC(C1CCCCCCCCC(N=N1)C(CC)CC)CC
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.319g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.554g/mol
Monoisotopic Mass:
308.319g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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