| CAS Number | 1249721-94-5 |
| Catalog Number | AG01BA13 |
| Chemical Name | 3-methoxy-4-(3-methoxypropoxy)aniline |
| IUPAC Name | 3-methoxy-4-(3-methoxypropoxy)aniline |
| InChI | InChI=1S/C11H17NO3/c1-13-6-3-7-15-10-5-4-9(12)8-11(10)14-2/h4-5,8H,3,6-7,12H2,1-2H3 |
| InChI Key | CHGCGUKHCSPCEJ-UHFFFAOYSA-N |
| MDL Number | MFCD16684117 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | COCCCOC1=C(OC)C=C(N)C=C1 |
| Synonyms | 3-methoxy-4-(3-methoxypropoxy)aniline,
1249721-94-5,
ZINC50505164,
AKOS011389383,
Z2039477507,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.261g/mol |
| Monoisotopic Mass | 211.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number