| CAS Number | 391233-75-3 |
| Catalog Number | AG01BFGC(AGN-PC-0RINEN) |
| Chemical Name | 1-(4-Chlorophenyl)-2-methoxyethan-1-amine |
| IUPAC Name | 1-(4-chlorophenyl)-2-methoxyethanamine |
| InChI | InChI=1S/C9H12ClNO/c1-12-6-9(11)7-2-4-8(10)5-3-7/h2-5,9H,6,11H2,1H3 |
| InChI Key | WPXVXJBFCKQSST-UHFFFAOYSA-N |
| MDL Number | MFCD14691072 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | NC(C1=CC=C(Cl)C=C1)COC |
| Synonyms | 1-(4-chlorophenyl)-2-methoxyethan-1-amine,
391233-75-3,
SCHEMBL5462262,
AKOS010815223,
NE18006,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.651g/mol |
| Monoisotopic Mass | 185.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number