| CAS Number | 37075-25-5 |
| Catalog Number | AG003K5W(AGN-PC-0RD7AL) |
| Chemical Name | 4'-(Amyloxy)benzylidene-4-cyanoaniline |
| IUPAC Name | 4-[(4-pentoxyphenyl)methylideneamino]benzonitrile |
| InChI | InChI=1S/C19H20N2O/c1-2-3-4-13-22-19-11-7-17(8-12-19)15-21-18-9-5-16(14-20)6-10-18/h5-12,15H,2-4,13H2,1H3 |
| InChI Key | IUWUDHSOMQRZCV-UHFFFAOYSA-N |
| MDL Number | MFCD00059588 |
| Molecular Formula | C19H20N2O |
| Molecular Weight | 292.3749 |
| SMILES | CCCCCOC1=CC=C(C=NC2=CC=C(C=C2)C#N)C=C1 |
| Synonyms | 37075-25-5,
4'-(Amyloxy)benzylidene-4-cyanoaniline,
4'-N-Amyloxybenzylidene-4-cyanoaniline,
4-((4-(Pentyloxy)benzylidene)amino)benzonitrile,
4-[[4-(Pentyloxy)benzylidene]amino]benzonitrile,
SCHEMBL8026846,
DTXSID50633428,
ZINC2522868,
MFCD00059588,
ZINC299888420,
N-(p-amyloxybenzylidene)-p-cyanoaniline,
4'-(Pentyloxy)benzylidene-4-cyanoaniline,
p-(p-Pentyloxybenzylideneamino)benzonitrile,
B0253,
FT-0743091,
4-[[4-(Amyloxy)benzylidene]amino]benzonitrile,
(E)-4-(4-(pentyloxy)benzylideneamino)benzonitrile,
C-46677,
I14-99719,
4-[(E)-{[4-(Pentyloxy)phenyl]methylidene}amino]benzonitrile,
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| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.382g/mol |
| Monoisotopic Mass | 292.158g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 45.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number