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140201-38-3 | 1,5,9-Triazacyclododec-1-ene, 2,4,4-trimethyl-
CAS No: 140201-38-3 Catalog No: AG001C50 MDL No:
Product Description
Catalog Number:
AG001C50
Chemical Name:
1,5,9-Triazacyclododec-1-ene, 2,4,4-trimethyl-
CAS Number:
140201-38-3
Molecular Formula:
C12H25N3
Molecular Weight:
211.3470
IUPAC Name:
2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene
InChI:
InChI=1S/C12H25N3/c1-11-10-12(2,3)15-9-5-7-13-6-4-8-14-11/h13,15H,4-10H2,1-3H3
InChI Key:
UTGZNOWYIDVDGB-UHFFFAOYSA-N
SMILES:
CC1=NCCCNCCCNC(C1)(C)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.205g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.353g/mol
Monoisotopic Mass:
211.205g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Coordination to metal centers: a tool to fix high energy conformations in organic molecules. Application to 2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene and related macrocycles. | Dalton transactions (Cambridge, England : 2003) 20111007 |
| Mono- and bidentate imidates of five-coordinate nickel(II) with macrocyclic ligands: spectroscopic and photophysical properties. | Dalton transactions (Cambridge, England : 2003) 20100628 |
| Five-coordinate nickel(II) complexes with carboxylate anions and derivatives of 1,5,9-triazacyclododec-1-ene: structural and 1H NMR spectroscopic studies. | Dalton transactions (Cambridge, England : 2003) 20050107 |
| Pentacoordinate nickel(II) complexes double bridged by phosphate ester or phosphinate ligands: spectroscopic, structural, kinetic, and magnetic studies. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040402 |
| Oxamidate-bridged dinuclear five-coordinate nickel(II) complexes: a magneto-structural study. | Inorganic chemistry 20040322 |
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