| CAS Number | 117437-09-9 |
| Catalog Number | AG01A7QL(AGN-PC-003OOM) |
| Chemical Name | 3-[(2-butoxyethoxy)methyl]aniline |
| IUPAC Name | 3-(2-butoxyethoxymethyl)aniline |
| InChI | InChI=1S/C13H21NO2/c1-2-3-7-15-8-9-16-11-12-5-4-6-13(14)10-12/h4-6,10H,2-3,7-9,11,14H2,1H3 |
| InChI Key | ZUTNCDDNIVSOKU-UHFFFAOYSA-N |
| MDL Number | MFCD11196303 |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.3113 |
| SMILES | CCCCOCCOCC1=CC(N)=CC=C1 |
| Synonyms | 3-[(2-butoxyethoxy)methyl]aniline,
117437-09-9,
AC1Q2XKO,
CTK6E3629,
ZINC20507359,
AKOS009258266,
MCULE-1974992829,
NE15108,
EN300-59547,
Z1262253024,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.316g/mol |
| Monoisotopic Mass | 223.157g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number