| CAS Number | 158091-33-9 |
| Catalog Number | AG019ZIL |
| Chemical Name | 2-[(Propan-2-yloxy)methyl]aniline |
| IUPAC Name | 2-(propan-2-yloxymethyl)aniline |
| InChI | InChI=1S/C10H15NO/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8H,7,11H2,1-2H3 |
| InChI Key | NWLXOUMRSQOKOE-UHFFFAOYSA-N |
| MDL Number | MFCD09805878 |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.2322 |
| SMILES | CC(OCC1=C(N)C=CC=C1)C |
| Synonyms | 2-[(PROPAN-2-YLOXY)METHYL]ANILINE,
158091-33-9,
SCHEMBL18184950,
CTK6B1042,
ZINC19401142,
AKOS000161614,
MCULE-1491124069,
NE56690,
|
| 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 | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number