| CAS Number | 1094544-66-7 |
| Catalog Number | AG01AKWH |
| Chemical Name | 3-Methyl-4-(propan-2-yloxy)aniline |
| IUPAC Name | 3-methyl-4-propan-2-yloxyaniline |
| InChI | InChI=1S/C10H15NO/c1-7(2)12-10-5-4-9(11)6-8(10)3/h4-7H,11H2,1-3H3 |
| InChI Key | DZKUUMSZPWXHSN-UHFFFAOYSA-N |
| MDL Number | MFCD11214161 |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.2322 |
| SMILES | CC(OC1=C(C)C=C(N)C=C1)C |
| Synonyms | 3-methyl-4-(propan-2-yloxy)aniline,
1094544-66-7,
3-methyl-4-isopropoxyaniline,
SCHEMBL3704321,
DZKUUMSZPWXHSN-UHFFFAOYSA-N,
ZINC36194371,
AKOS009351916,
MCULE-4921316649,
NE15142,
EN300-85485,
A1-07350,
Z1258948116,
|
| Complexity | 136 |
| 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 | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number