| CAS Number | 954254-06-9 |
| Catalog Number | AG019MQN |
| Chemical Name | 4-methoxy-3-(oxolan-2-ylmethoxy)aniline |
| IUPAC Name | 4-methoxy-3-(oxolan-2-ylmethoxy)aniline |
| InChI | InChI=1S/C12H17NO3/c1-14-11-5-4-9(13)7-12(11)16-8-10-3-2-6-15-10/h4-5,7,10H,2-3,6,8,13H2,1H3 |
| InChI Key | ZZVFETQDWOOAEL-UHFFFAOYSA-N |
| MDL Number | MFCD09737325 |
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.2683 |
| SMILES | COC1=C(C=C(N)C=C1)OCC1OCCC1 |
| Synonyms | 4-methoxy-3-(oxolan-2-ylmethoxy)aniline,
954254-06-9,
EN300-36971,
AB00999508-01,
Z381061552,
4-methoxy-3-(tetrahydrofuran-2-ylmethoxy)aniline,
CTK7A7413,
AC1Q4794,
AKOS000142690,
AKOS016900897,
MCULE-1847093052,
NE60266,
4-methoxy-3-[(oxolan-2-yl)methoxy]aniline,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.272g/mol |
| Monoisotopic Mass | 223.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number