| CAS Number | 1016527-39-1 |
| Catalog Number | AG019XLQ |
| Chemical Name | 3-(aminomethyl)-N-(oxolan-2-ylmethyl)benzamide |
| IUPAC Name | 3-(aminomethyl)-N-(oxolan-2-ylmethyl)benzamide |
| InChI | InChI=1S/C13H18N2O2/c14-8-10-3-1-4-11(7-10)13(16)15-9-12-5-2-6-17-12/h1,3-4,7,12H,2,5-6,8-9,14H2,(H,15,16) |
| InChI Key | SGRCWVFWIACJAV-UHFFFAOYSA-N |
| MDL Number | MFCD09807956 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.2942 |
| SMILES | NCC1=CC(C(NCC2OCCC2)=O)=CC=C1 |
| Synonyms | 3-(aminomethyl)-N-(oxolan-2-ylmethyl)benzamide,
1016527-39-1,
AC1Q53TR,
AKOS000159973,
AKOS022489564,
MCULE-4474901835,
NE37797,
EN300-55344,
3-(aminomethyl)-N-[(oxolan-2-yl)methyl]benzamide,
Z1262237361,
3-(aminomethyl)-N-(oxolan-2-ylmethyl)benzamide, AldrichCPR,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.299g/mol |
| Monoisotopic Mass | 234.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number