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295-18-1 | Azacyclotetradecane
CAS No: 295-18-1 Catalog No: AG002YLH MDL No:
Product Description
Catalog Number:
AG002YLH
Chemical Name:
Azacyclotetradecane
CAS Number:
295-18-1
Molecular Formula:
C13H27N
Molecular Weight:
197.3602
IUPAC Name:
azacyclotetradecane
InChI:
InChI=1S/C13H27N/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h14H,1-13H2
InChI Key:
OPIYXDLVKKNYRB-UHFFFAOYSA-N
SMILES:
C1CCCCCCCNCCCCC1
Properties
Complexity:
99.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.214g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.366g/mol
Monoisotopic Mass:
197.214g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Molecular design of tetraazamacrocyclic derivatives bearing a spirobenzopyran and three carboxymethyl moieties and their metal-ion complexing behavior. | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20080401 |
| New modulated metallic macrocycles: Electrochemistry and their interaction with calf thymus DNA. | Acta biomaterialia 20051101 |
| Oxygen activation by a macrocyclic chromium complex. Mechanism of hydroperoxo-chromium(III) to oxo-chromium(V) transformation. | Dalton transactions (Cambridge, England : 2003) 20050207 |
| Molecular dynamics simulations of MRI-relevant GdIII chelates: direct access to outer-sphere relaxivity. | Chemistry (Weinheim an der Bergstrasse, Germany) 20010202 |
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