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114070-54-1 | 1,3-Propanediamine, N1,N3-bis[(2-methoxyphenyl)methylene]-
CAS No: 114070-54-1 Catalog No: AG000AGR MDL No:
Product Description
Catalog Number:
AG000AGR
Chemical Name:
1,3-Propanediamine, N1,N3-bis[(2-methoxyphenyl)methylene]-
CAS Number:
114070-54-1
Molecular Formula:
C19H22N2O2
Molecular Weight:
310.3902
IUPAC Name:
1-(2-methoxyphenyl)-N-[3-[(2-methoxyphenyl)methylideneamino]propyl]methanimine
InChI:
InChI=1S/C19H22N2O2/c1-22-18-10-5-3-8-16(18)14-20-12-7-13-21-15-17-9-4-6-11-19(17)23-2/h3-6,8-11,14-15H,7,12-13H2,1-2H3
InChI Key:
RTYZWSFGGDSRKN-UHFFFAOYSA-N
SMILES:
COc1ccccc1C=NCCCN=Cc1ccccc1OC
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.397g/mol
Monoisotopic Mass:
310.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| N,N'-Bis(2-methoxybenzylidene) adducts of ethane-1,2-diamine, propane-1,3-diamine and butane-1,4-diamine. | Acta crystallographica. Section C, Crystal structure communications 20040301 |
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