| CAS Number | 926229-91-6 |
| Catalog Number | AG019UP1 |
| Chemical Name | 3-(aminomethyl)-N-(butan-2-yl)benzamide |
| IUPAC Name | 3-(aminomethyl)-N-butan-2-ylbenzamide |
| InChI | InChI=1S/C12H18N2O/c1-3-9(2)14-12(15)11-6-4-5-10(7-11)8-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15) |
| InChI Key | UGXANNZSHQYPTI-UHFFFAOYSA-N |
| MDL Number | MFCD09050791 |
| Molecular Formula | C12H18N2O |
| Molecular Weight | 206.2841 |
| SMILES | CCC(NC(C1=CC(CN)=CC=C1)=O)C |
| Synonyms | 3-(aminomethyl)-N-(butan-2-yl)benzamide,
926229-91-6,
AC1Q2SAL,
CTK6C9215,
AKOS000134431,
AKOS022482471,
MCULE-1424925750,
NE20001,
EN300-42361,
Z444349602,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.289g/mol |
| Monoisotopic Mass | 206.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number