| CAS Number | 1183076-99-4 |
| Catalog Number | AG019TDF |
| Chemical Name | [(3-chlorophenyl)methyl](2,2-dimethoxyethyl)amine |
| IUPAC Name | N-[(3-chlorophenyl)methyl]-2,2-dimethoxyethanamine |
| InChI | InChI=1S/C11H16ClNO2/c1-14-11(15-2)8-13-7-9-4-3-5-10(12)6-9/h3-6,11,13H,7-8H2,1-2H3 |
| InChI Key | RALNVYXUXLMWKC-UHFFFAOYSA-N |
| MDL Number | MFCD12148387 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | COC(OC)CNCC1=CC(Cl)=CC=C1 |
| Synonyms | [(3-chlorophenyl)methyl](2,2-dimethoxyethyl)amine,
1183076-99-4,
ZINC37388239,
AKOS008988802,
MCULE-3500163668,
NE23772,
Z86134519,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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