| CAS Number | 144759-10-4 |
| Catalog Number | AG019LLS(AGN-PC-0PW20Z) |
| Chemical Name | 1-(2-(Difluoromethoxy)phenyl)ethan-1-amine |
| IUPAC Name | 1-[2-(difluoromethoxy)phenyl]ethanamine |
| InChI | InChI=1S/C9H11F2NO/c1-6(12)7-4-2-3-5-8(7)13-9(10)11/h2-6,9H,12H2,1H3 |
| InChI Key | XZXJJKFVKBSRME-UHFFFAOYSA-N |
| MDL Number | MFCD02689995 |
| Molecular Formula | C9H11F2NO |
| Molecular Weight | 187.1865 |
| SMILES | CC(C1=CC=CC=C1OC(F)F)N |
| Synonyms | 1-[2-(difluoromethoxy)phenyl]ethanamine,
1-[2-(difluoromethoxy)phenyl]ethan-1-amine,
144759-10-4,
BAS 11417819,
AC1NBKQ9,
AC1Q2B74,
CTK7B7552,
HMS1704N09,
AKOS000123462,
AKOS017268847,
1-(2-Difluoromethoxy-phenyl)-ethylamine,
EN300-31719,
CID4444803,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.19g/mol |
| Monoisotopic Mass | 187.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number