| CAS Number | 64856-16-2 |
| Catalog Number | AG01AXGL(AGN-PC-00OPAG) |
| Chemical Name | N-Isopropyl-2-methoxyaniline |
| IUPAC Name | 2-methoxy-N-propan-2-ylaniline |
| InChI | InChI=1S/C10H15NO/c1-8(2)11-9-6-4-5-7-10(9)12-3/h4-8,11H,1-3H3 |
| InChI Key | WFQXGJMHCGBRQJ-UHFFFAOYSA-N |
| MDL Number | MFCD11141319 |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.2322 |
| SMILES | COC1=C(NC(C)C)C=CC=C1 |
| Synonyms | N-Isopropyl-2-methoxyaniline,
64856-16-2,
2-methoxy-N-(propan-2-yl)aniline,
SCHEMBL1644887,
ZINC19772168,
AKOS000231287,
AJ-74852,
Benzenamine, 2-methoxy-N-(1-methylethyl)-,
Z267171966,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.236g/mol |
| Monoisotopic Mass | 165.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number