| CAS Number | 2222471-40-9 |
| Catalog Number | AG01DU66 |
| Chemical Name | (1S)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethylamine hydrochloride |
| IUPAC Name | (1S)-2,2,2-trifluoro-1-(3-methoxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H10F3NO.ClH/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12;/h2-5,8H,13H2,1H3;1H/t8-;/m0./s1 |
| InChI Key | RFVCBTAGVFWILZ-QRPNPIFTSA-N |
| MDL Number | MFCD12910572 |
| Molecular Formula | C9H11ClF3NO |
| Molecular Weight | 241.6379 |
| SMILES | COC1=CC([C@H](N)C(F)(F)F)=CC=C1.[H]Cl |
| Synonyms | (S)-2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanamine hydrochloride,
2222471-40-9,
(S)-2,2,2-Trifluoro-1-(3-methoxyphenyl)ethanamine HCl,
KS-00000U2T,
(1S)-2,2,2-TRIFLUORO-1-(3-METHOXYPHENYL)ETHYLAMINE HYDROCHLORIDE,
DS-19777,
AX8297092,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.048126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.64g/mol |
| Monoisotopic Mass | 241.048126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number