| CAS Number | 889940-08-3 |
| Catalog Number | AG019WOL(AGN-PC-0WNL68) |
| Chemical Name | 2-((Tetrahydro-2H-pyran-2-yl)methoxy)aniline |
| IUPAC Name | 2-(oxan-2-ylmethoxy)aniline |
| InChI | InChI=1S/C12H17NO2/c13-11-6-1-2-7-12(11)15-9-10-5-3-4-8-14-10/h1-2,6-7,10H,3-5,8-9,13H2 |
| InChI Key | AGQGPCQKCZTQJO-UHFFFAOYSA-N |
| MDL Number | MFCD08445813 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | C1=CC=C(C(=C1)N)OCC2CCCCO2 |
| Synonyms | 2-(oxan-2-ylmethoxy)aniline,
2-(Tetrahydro-pyran-2-ylmethoxy)-phenylamine,
889940-08-3,
2-((Tetrahydro-2H-pyran-2-yl)methoxy)aniline,
2-(Tetrahydro-pyran-2-ylmethoxy)phenylamine,
2-(2H-3,4,5,6-tetrahydropyran-2-ylmethoxy)phenylamine,
AC1Q518V,
CTK7D9677,
SBB085480,
AKOS000214872,
AKOS022480286,
MCULE-3732973622,
NE32643,
TR-045605,
ST50401274,
EN300-52656,
BRD-A06970195-001-01-8,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number