| CAS Number | 870063-49-3 |
| Catalog Number | AG019U7K(AGN-PC-0163V8) |
| Chemical Name | {2-[2-(diethylamino)ethoxy]phenyl}methanamine |
| IUPAC Name | 2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine |
| InChI | InChI=1S/C13H22N2O/c1-3-15(4-2)9-10-16-13-8-6-5-7-12(13)11-14/h5-8H,3-4,9-11,14H2,1-2H3 |
| InChI Key | QKTZEXRCEPPMOB-UHFFFAOYSA-N |
| MDL Number | MFCD09718612 |
| Molecular Formula | C13H22N2O |
| Molecular Weight | 222.3266 |
| SMILES | CCN(CCOC1=C(CN)C=CC=C1)CC |
| Synonyms | {2-[2-(diethylamino)ethoxy]phenyl}methanamine,
870063-49-3,
N-{2-[2-(aminomethyl)phenoxy]ethyl}-N,N-diethylamine,
AC1Q2ZEN,
SCHEMBL3296125,
CTK6E8529,
QKTZEXRCEPPMOB-UHFFFAOYSA-N,
ZINC11801017,
AKOS000145086,
MCULE-3602498006,
NE24515,
EN300-40826,
Z1245633194,
Benzenemethanamine, 2-[2-(diethylamino)ethoxy],
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.332g/mol |
| Monoisotopic Mass | 222.173g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number