| CAS Number | 1017217-24-1 |
| Catalog Number | AG01BRZX |
| Chemical Name | {4-[(2-methylphenyl)methyl]morpholin-2-yl}methanamine |
| IUPAC Name | [4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine |
| InChI | InChI=1S/C13H20N2O/c1-11-4-2-3-5-12(11)9-15-6-7-16-13(8-14)10-15/h2-5,13H,6-10,14H2,1H3 |
| InChI Key | PXAYEIRWKUYLAI-UHFFFAOYSA-N |
| MDL Number | MFCD09892097 |
| Molecular Formula | C13H20N2O |
| Molecular Weight | 220.3107 |
| SMILES | CC1=C(CN2CC(CN)OCC2)C=CC=C1 |
| Synonyms | {4-[(2-methylphenyl)methyl]morpholin-2-yl}methanamine,
1017217-24-1,
AKOS000365669,
AKOS017417418,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.316g/mol |
| Monoisotopic Mass | 220.158g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number