| CAS Number | 1239262-36-2 |
| Catalog Number | AG01ENL7(AGN-PC-3H45OP) |
| Chemical Name | (1R,2S)-rel-2-[3,5-Difluoro-2-(phenylmethoxy)phenyl]cycloprpanaminehydrochloride |
| IUPAC Name | (1R,2S)-2-(3,5-difluoro-2-phenylmethoxyphenyl)cyclopropan-1-amine;hydrochloride |
| InChI | InChI=1S/C16H15F2NO.ClH/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10;/h1-7,12,15H,8-9,19H2;1H/t12-,15+;/m0./s1 |
| InChI Key | CTSUZAFTJVLOIX-SBKWZQTDSA-N |
| MDL Number | MFCD30182352 |
| Molecular Formula | C16H16ClF2NO |
| Molecular Weight | 311.7541 |
| SMILES | FC1=C(OCC2=CC=CC=C2)C([C@@H]3C[C@H]3N)=CC(F)=C1.Cl |
| Synonyms | S 2101,
1239262-36-2,
AKOS027470268,
HY-110277,
CS-0033145,
(1R,2S)-rel-2-[3,5-Difluoro-2-(phenylmethoxy)phenyl]cycloprpanamine hydrochloride,
(1R,2S)-rel-2-[3,5-Difluoro-2-(phenylmethoxy)phenyl]cycloprpanaminehydrochloride,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.757g/mol |
| Monoisotopic Mass | 311.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number