| CAS Number | 40171-90-2 |
| Catalog Number | AG01AHCX |
| Chemical Name | 2-([(2,5-Dimethoxyphenyl)methyl]amino)ethan-1-ol |
| IUPAC Name | 2-[(2,5-dimethoxyphenyl)methylamino]ethanol |
| InChI | InChI=1S/C11H17NO3/c1-14-10-3-4-11(15-2)9(7-10)8-12-5-6-13/h3-4,7,12-13H,5-6,8H2,1-2H3 |
| InChI Key | JVWUNGHEVLANLA-UHFFFAOYSA-N |
| MDL Number | MFCD11175324 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | COC1=CC(CNCCO)=C(OC)C=C1 |
| Synonyms | 2-{[(2,5-dimethoxyphenyl)methyl]amino}ethan-1-ol,
40171-90-2,
ZINC20305888,
AKOS002640408,
MCULE-1392343544,
NE19379,
EN300-74336,
Z90504539,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.261g/mol |
| Monoisotopic Mass | 211.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number