| CAS Number | 1016678-14-0 |
| Catalog Number | AG019UGL |
| Chemical Name | 3-(aminomethyl)-N-[(4-methylphenyl)methyl]benzamide |
| IUPAC Name | 3-(aminomethyl)-N-[(4-methylphenyl)methyl]benzamide |
| InChI | InChI=1S/C16H18N2O/c1-12-5-7-13(8-6-12)11-18-16(19)15-4-2-3-14(9-15)10-17/h2-9H,10-11,17H2,1H3,(H,18,19) |
| InChI Key | VDIHJQDFPYZJBG-UHFFFAOYSA-N |
| MDL Number | MFCD09813131 |
| Molecular Formula | C16H18N2O |
| Molecular Weight | 254.3269 |
| SMILES | CC1=CC=C(CNC(C2=CC(CN)=CC=C2)=O)C=C1 |
| Synonyms | 3-(aminomethyl)-N-[(4-methylphenyl)methyl]benzamide,
1016678-14-0,
AC1Q2M07,
CTK7E5316,
ZINC19280255,
AKOS000156357,
MCULE-5772937444,
NE18145,
EN300-41604,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.333g/mol |
| Monoisotopic Mass | 254.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number