| CAS Number | 1391497-31-6 |
| Catalog Number | AG001AEC(AGN-PC-0WD2DC) |
| Chemical Name | Benzenemethanamine, 2-chloro-6-fluoro-α-methyl-, hydrochloride (1:1), (αR)- |
| IUPAC Name | (1R)-1-(2-chloro-6-fluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H9ClFN.ClH/c1-5(11)8-6(9)3-2-4-7(8)10;/h2-5H,11H2,1H3;1H/t5-;/m1./s1 |
| InChI Key | PUBRSCIMJQYMNY-NUBCRITNSA-N |
| MDL Number | MFCD12757993 |
| Molecular Formula | C8H10Cl2FN |
| Molecular Weight | 210.0761 |
| SMILES | C[C@@H](N)C1=C(F)C=CC=C1Cl.[H]Cl |
| Synonyms | (R)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride,
1391497-31-6,
1100575-44-7,
(R)-1-(2-Chloro-6-fluorophenyl)ethanamine HCl,
AK134065,
KS-00000RJR,
DTXSID90704247,
MFCD12757993,
AKOS015923251,
DS-4741,
AX8255616,
(1R)-1-(2-Chloro-6-fluorophenyl)ethan-1-amine--hydrogen chloride (1/1),
Benzenemethanamine, 2-chloro-6-fluoro-alpha-methyl-, hydrochloride (1:1), (alphaR)-,
PUBRSCIMJQYMNY-NUBCRITNSA-N,
(R)-1-(2-CHLORO-6-FLUOROPHENYL)ETHANAMINE-HCl,
(S)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride,
1000878-48-7,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.073g/mol |
| Monoisotopic Mass | 209.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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