| CAS Number | 31084-56-7 |
| Catalog Number | AG019LWC(AGN-PC-02KN4F) |
| Chemical Name | 3-methoxy-N-(2-methylpropyl)aniline |
| IUPAC Name | 3-methoxy-N-(2-methylpropyl)aniline |
| InChI | InChI=1S/C11H17NO/c1-9(2)8-12-10-5-4-6-11(7-10)13-3/h4-7,9,12H,8H2,1-3H3 |
| InChI Key | CAFZMKMGDSLQQY-UHFFFAOYSA-N |
| MDL Number | MFCD11147077 |
| Molecular Formula | C11H17NO |
| Molecular Weight | 179.2588 |
| SMILES | COC1=CC(NCC(C)C)=CC=C1 |
| Synonyms | N-Isobutyl-3-methoxyaniline,
3-methoxy-N-(2-methylpropyl)aniline,
31084-56-7,
SCHEMBL9781354,
ZINC19964007,
AKOS000243299,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.263g/mol |
| Monoisotopic Mass | 179.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number