| CAS Number | 72920-03-7 |
| Catalog Number | AG01A7S3(AGN-PC-03EUT1) |
| Chemical Name | N-Methyl-4-phenoxyaniline |
| IUPAC Name | N-methyl-4-phenoxyaniline |
| InChI | InChI=1S/C13H13NO/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12/h2-10,14H,1H3 |
| InChI Key | QQSPSNFFTXUJOU-UHFFFAOYSA-N |
| MDL Number | MFCD09743427 |
| Molecular Formula | C13H13NO |
| Molecular Weight | 199.2484 |
| SMILES | CNC1=CC=C(OC2=CC=CC=C2)C=C1 |
| Synonyms | N-methyl-4-phenoxyaniline,
72920-03-7,
4-Phenoxy-N-methylaniline,
AC1Q40Y1,
SCHEMBL3686642,
CTK6I4844,
QQSPSNFFTXUJOU-UHFFFAOYSA-N,
ALBB-031134,
ZINC15446555,
AKOS000250714,
MCULE-5716079066,
NE14395,
NCGC00333962-01,
EN300-59644,
AB01319606-02,
Z951402014,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.253g/mol |
| Monoisotopic Mass | 199.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number