| CAS Number | 34334-34-4 |
| Catalog Number | AG01AKP7 |
| Chemical Name | 4-(2-Aminoethoxy)benzonitrile hydrochloride |
| IUPAC Name | 4-(2-aminoethoxy)benzonitrile;hydrochloride |
| InChI | InChI=1S/C9H10N2O.ClH/c10-5-6-12-9-3-1-8(7-11)2-4-9;/h1-4H,5-6,10H2;1H |
| InChI Key | BKXZWODKDCNQGB-UHFFFAOYSA-N |
| MDL Number | MFCD20441526 |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.6494 |
| SMILES | Cl.NCCOC1=CC=C(C#N)C=C1 |
| Synonyms | 4-(2-aminoethoxy)benzonitrile hydrochloride,
34334-34-4,
EN300-84816,
SCHEMBL4377749,
MCULE-8067681124,
NE37021,
Z1262398529,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.65g/mol |
| Monoisotopic Mass | 198.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number