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141213-09-4 | Phenol, 2-[(octahydro-1H-1,4,7-triazonin-1-yl)methyl]-
CAS No: 141213-09-4 Catalog No: AG001G2T MDL No:
Product Description
Catalog Number:
AG001G2T
Chemical Name:
Phenol, 2-[(octahydro-1H-1,4,7-triazonin-1-yl)methyl]-
CAS Number:
141213-09-4
Molecular Formula:
C13H21N3O
Molecular Weight:
235.3253
IUPAC Name:
2-(1,4,7-triazonan-1-ylmethyl)phenol
InChI:
InChI=1S/C13H21N3O/c17-13-4-2-1-3-12(13)11-16-9-7-14-5-6-15-8-10-16/h1-4,14-15,17H,5-11H2
InChI Key:
ZJICWDCZPLJTBC-UHFFFAOYSA-N
SMILES:
Oc1ccccc1CN1CCNCCNCC1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
235.331g/mol
Monoisotopic Mass:
235.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Molecular architectures for trimetallic d/f/d complexes: structural and magnetic properties of a LnNi2 core. | Inorganic chemistry 20080407 |
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