| CAS Number | 477742-46-4 |
| Catalog Number | AG00DNID(AGN-PC-0167AC) |
| Chemical Name | Benzenamine, 3-ethoxy-4-methoxy- |
| IUPAC Name | 3-ethoxy-4-methoxyaniline |
| InChI | InChI=1S/C9H13NO2/c1-3-12-9-6-7(10)4-5-8(9)11-2/h4-6H,3,10H2,1-2H3 |
| InChI Key | BEFRVRWYSAQETM-UHFFFAOYSA-N |
| MDL Number | MFCD09738742 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | O(CC)c1c(OC)ccc(c1)N |
| Synonyms | 3-ethoxy-4-methoxyaniline,
477742-46-4,
BENZENAMINE, 3-ETHOXY-4-METHOXY-,
Benzenamine, 3-ethoxy-4-methoxy- (9CI),
AC1Q35W1,
SCHEMBL1009382,
3-Ethoxy-4-methoxy-phenylamine,
CTK4J0293,
DTXSID00588570,
BEFRVRWYSAQETM-UHFFFAOYSA-N,
ZINC22221142,
AKOS000147541,
MCULE-5673388474,
NE14366,
EN300-43656,
AB00999092-01,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number