| CAS Number | 1052533-96-6 |
| Catalog Number | AG00J407 |
| Chemical Name | 2-[(2-Ethoxybenzyl)amino]ethanol hydrochloride |
| IUPAC Name | 2-[(2-ethoxyphenyl)methylamino]ethanol;hydrochloride |
| InChI | InChI=1S/C11H17NO2.ClH/c1-2-14-11-6-4-3-5-10(11)9-12-7-8-13;/h3-6,12-13H,2,7-9H2,1H3;1H |
| InChI Key | QIVCTIAHNZGBGE-UHFFFAOYSA-N |
| MDL Number | MFCD04152996 |
| Molecular Formula | C11H18ClNO2 |
| Molecular Weight | 231.7191 |
| SMILES | C1(=CC=CC=C1OCC)CNCCO.Cl |
| Synonyms | 2-[(2-Ethoxybenzyl)amino]ethanol hydrochloride,
1052533-96-6,
MLS000548554,
CHEMBL1604313,
ZX-CM018009,
MFCD04152996,
SMR000115719,
2-[(2-ethoxybenzyl)amino]ethanol,
CID9549113,
774192-18-6,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.72g/mol |
| Monoisotopic Mass | 231.103g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number