| CAS Number | 1158340-06-7 |
| Catalog Number | AG01A00S |
| Chemical Name | 4-(aminomethyl)-N-(4-fluorophenyl)benzamide hydrochloride |
| IUPAC Name | 4-(aminomethyl)-N-(4-fluorophenyl)benzamide;hydrochloride |
| InChI | InChI=1S/C14H13FN2O.ClH/c15-12-5-7-13(8-6-12)17-14(18)11-3-1-10(9-16)2-4-11;/h1-8H,9,16H2,(H,17,18);1H |
| InChI Key | BDPSMVUFGMBKCA-UHFFFAOYSA-N |
| MDL Number | MFCD15201437 |
| Molecular Formula | C14H14ClFN2O |
| Molecular Weight | 280.7252 |
| SMILES | Cl.NCC1=CC=C(C(NC2=CC=C(F)C=C2)=O)C=C1 |
| Synonyms | 4-(aminomethyl)-N-(4-fluorophenyl)benzamide hydrochloride,
1158340-06-7,
MCULE-7105332028,
NE43980,
RP29849,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.727g/mol |
| Monoisotopic Mass | 280.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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