| CAS Number | 954563-16-7 |
| Catalog Number | AG019UJF |
| Chemical Name | N-[4-(aminomethyl)phenyl]-4-(2-methylphenoxy)butanamide |
| IUPAC Name | N-[4-(aminomethyl)phenyl]-4-(2-methylphenoxy)butanamide |
| InChI | InChI=1S/C18H22N2O2/c1-14-5-2-3-6-17(14)22-12-4-7-18(21)20-16-10-8-15(13-19)9-11-16/h2-3,5-6,8-11H,4,7,12-13,19H2,1H3,(H,20,21) |
| InChI Key | VEGGBICLAIXIHZ-UHFFFAOYSA-N |
| MDL Number | MFCD09741102 |
| Molecular Formula | C18H22N2O2 |
| Molecular Weight | 298.3795 |
| SMILES | CC1=C(OCCCC(NC2=CC=C(CN)C=C2)=O)C=CC=C1 |
| Synonyms | N-[4-(aminomethyl)phenyl]-4-(2-methylphenoxy)butanamide,
954563-16-7,
AC1Q2GE4,
CTK7E4725,
ZINC22223954,
AKOS000151240,
MCULE-7265303613,
NE35449,
EN300-41867,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.386g/mol |
| Monoisotopic Mass | 298.168g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number