| CAS Number | 1016860-12-0 |
| Catalog Number | AG01A9Z2 |
| Chemical Name | 4-(Naphthalen-1-yloxy)butanenitrile |
| IUPAC Name | 4-naphthalen-1-yloxybutanenitrile |
| InChI | InChI=1S/C14H13NO/c15-10-3-4-11-16-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,11H2 |
| InChI Key | OCTKWQHDXPQFBP-UHFFFAOYSA-N |
| MDL Number | MFCD09944811 |
| Molecular Formula | C14H13NO |
| Molecular Weight | 211.2591 |
| SMILES | N#CCCCOC1=C2C(C=CC=C2)=CC=C1 |
| Synonyms | 4-(naphthalen-1-yloxy)butanenitrile,
1016860-12-0,
EN300-66596,
AC1Q4S90,
SCHEMBL4951780,
ZINC19505132,
AKOS000191507,
MCULE-9482806886,
NE26428,
Z54445416,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.264g/mol |
| Monoisotopic Mass | 211.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number