| CAS Number | 937631-19-1 |
| Catalog Number | AG019VY9 |
| Chemical Name | N-[3-(aminomethyl)phenyl]-3-(morpholin-4-yl)propanamide |
| IUPAC Name | N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide |
| InChI | InChI=1S/C14H21N3O2/c15-11-12-2-1-3-13(10-12)16-14(18)4-5-17-6-8-19-9-7-17/h1-3,10H,4-9,11,15H2,(H,16,18) |
| InChI Key | HLSBQKZCGILRMR-UHFFFAOYSA-N |
| MDL Number | MFCD09051500 |
| Molecular Formula | C14H21N3O2 |
| Molecular Weight | 263.3354 |
| SMILES | NCC1=CC(NC(CCN2CCOCC2)=O)=CC=C1 |
| Synonyms | N-[3-(aminomethyl)phenyl]-3-(morpholin-4-yl)propanamide,
937631-19-1,
AC1Q53VZ,
CHEMBL3465724,
CTK7E5639,
ZINC22153323,
AKOS000135261,
MCULE-1076379924,
NE34961,
EN300-49843,
N-[3-(Aminomethyl)phenyl]-3-(4-morpholinyl)propanamide,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.341g/mol |
| Monoisotopic Mass | 263.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number