| CAS Number | 1016724-91-6 |
| Catalog Number | AG019V7M |
| Chemical Name | 3-[(2-ethoxyethoxy)methyl]aniline |
| IUPAC Name | 3-(2-ethoxyethoxymethyl)aniline |
| InChI | InChI=1S/C11H17NO2/c1-2-13-6-7-14-9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,12H2,1H3 |
| InChI Key | NXQMKGBVRDJEGI-UHFFFAOYSA-N |
| MDL Number | MFCD09804675 |
| Molecular Formula | C11H17NO2 |
| Molecular Weight | 195.2582 |
| SMILES | CCOCCOCC1=CC(N)=CC=C1 |
| Synonyms | 3-[(2-ethoxyethoxy)methyl]aniline,
1016724-91-6,
AC1Q38A8,
CTK6G4024,
ZINC19267698,
AKOS000153798,
NE19053,
EN300-43993,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.262g/mol |
| Monoisotopic Mass | 195.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number