| CAS Number | 40171-89-9 |
| Catalog Number | AG01AHJF |
| Chemical Name | 2-([(2,4-Dimethoxyphenyl)methyl]amino)ethan-1-ol |
| IUPAC Name | 2-[(2,4-dimethoxyphenyl)methylamino]ethanol |
| InChI | InChI=1S/C11H17NO3/c1-14-10-4-3-9(8-12-5-6-13)11(7-10)15-2/h3-4,7,12-13H,5-6,8H2,1-2H3 |
| InChI Key | KPLYXEDOBUIZRG-UHFFFAOYSA-N |
| MDL Number | MFCD07407284 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | COC1=CC(OC)=C(CNCCO)C=C1 |
| Synonyms | 2-{[(2,4-dimethoxyphenyl)methyl]amino}ethan-1-ol,
40171-89-9,
2-[(2,4-dimethoxybenzyl)amino]ethanol,
AC1NG5SM,
2-[(2,4-dimethoxyphenyl)methylamino]ethanol,
SCHEMBL14971128,
KPLYXEDOBUIZRG-UHFFFAOYSA-N,
ZINC8473081,
2-(2,4-dimethoxybenzylamino)ethanol,
STL115024,
AKOS002618422,
MCULE-3293284306,
NE29174,
EN300-74931,
A1-10980,
Z90504516,
CID4719059,
|
| 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