| CAS Number | 500024-50-0 |
| Catalog Number | AG01AGM7 |
| Chemical Name | 3-[2-(Dimethylamino)ethoxy]benzonitrile |
| IUPAC Name | 3-[2-(dimethylamino)ethoxy]benzonitrile |
| InChI | InChI=1S/C11H14N2O/c1-13(2)6-7-14-11-5-3-4-10(8-11)9-12/h3-5,8H,6-7H2,1-2H3 |
| InChI Key | OOORMPRSIIQSGG-UHFFFAOYSA-N |
| MDL Number | MFCD09703968 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | CN(CCOC1=CC(C#N)=CC=C1)C |
| Synonyms | 3-[2-(dimethylamino)ethoxy]benzonitrile,
500024-50-0,
3-(2-dimethylamino-ethoxy)benzonitrile,
AC1Q3WWM,
SCHEMBL781198,
OOORMPRSIIQSGG-UHFFFAOYSA-N,
ZINC11950166,
AKOS000196401,
MCULE-8356942431,
NE14292,
3-(2-Dimethylamino-ethoxy)-benzonitrile,
EN300-72241,
Z149252536,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.246g/mol |
| Monoisotopic Mass | 190.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number