| CAS Number | 926231-30-3 |
| Catalog Number | AG019XAB |
| Chemical Name | N-[3-(aminomethyl)phenyl]oxolane-2-carboxamide |
| IUPAC Name | N-[3-(aminomethyl)phenyl]oxolane-2-carboxamide |
| InChI | InChI=1S/C12H16N2O2/c13-8-9-3-1-4-10(7-9)14-12(15)11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8,13H2,(H,14,15) |
| InChI Key | CIRAABQZDSQPHA-UHFFFAOYSA-N |
| MDL Number | MFCD09044480 |
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.2676 |
| SMILES | NCC1=CC(NC(C2OCCC2)=O)=CC=C1 |
| Synonyms | N-[3-(aminomethyl)phenyl]oxolane-2-carboxamide,
926231-30-3,
AC1Q53VY,
AKOS000128674,
AKOS022477796,
MCULE-8640404860,
NE14161,
EN300-54479,
N-[3-(aminomethyl)phenyl]tetrahydrofuraN-2-carboxamide, AldrichCPR,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.272g/mol |
| Monoisotopic Mass | 220.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number