| CAS Number | 1394042-68-2 |
| Catalog Number | AG019ZNL |
| Chemical Name | 4-[(4-Aminonaphthalen-1-yl)oxy]butanenitrile |
| IUPAC Name | 4-(4-aminonaphthalen-1-yl)oxybutanenitrile |
| InChI | InChI=1S/C14H14N2O/c15-9-3-4-10-17-14-8-7-13(16)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,10,16H2 |
| InChI Key | KLCSOYSBIDXZQD-UHFFFAOYSA-N |
| MDL Number | MFCD18998450 |
| Molecular Formula | C14H14N2O |
| Molecular Weight | 226.2738 |
| SMILES | NC1=C2C(C=CC=C2)=C(OCCCC#N)C=C1 |
| Synonyms | 4-[(4-aminonaphthalen-1-yl)oxy]butanenitrile,
1394042-68-2,
ZINC75772070,
AKOS013001181,
NE57324,
RP27662,
SEL10897884,
EN300-106544,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.279g/mol |
| Monoisotopic Mass | 226.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number