| CAS Number | 1624261-91-1 |
| Catalog Number | AG001T5P(AGN-PC-0WD6H5) |
| Chemical Name | Benzenemethanamine, 2-bromo-4-fluoro-α-methyl-, hydrochloride (1:1), (αS)- |
| IUPAC Name | (1S)-1-(2-bromo-4-fluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H9BrFN.ClH/c1-5(11)7-3-2-6(10)4-8(7)9;/h2-5H,11H2,1H3;1H/t5-;/m0./s1 |
| InChI Key | MMBXNJVKDHDORR-JEDNCBNOSA-N |
| MDL Number | MFCD22988854 |
| Molecular Formula | C8H10BrClFN |
| Molecular Weight | 254.5271 |
| SMILES | C[C@H](N)C1=CC=C(F)C=C1Br.[H]Cl |
| Synonyms | (S)-1-(2-Bromo-4-fluorophenyl)ethanamine hydrochloride,
1624261-91-1,
(S)-1-(2-BROMO-4-FLUOROPHENYL)ETHANAMINE HCL,
MFCD22988854,
AKOS024462799,
DS-9664,
ST24035710,
W-3879,
Benzenemethanamine, 2-bromo-4-fluoro-alpha-methyl-, hydrochloride (1:1), (alphaS)-,
ACN-054873,
(R)-1-(2-Bromo-4-fluorophenyl)ethanamine hydrochloride,
(S)-1-(2-bromo-4-fluorophenyl)ethan-1-amine hydrochloride,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.527g/mol |
| Monoisotopic Mass | 252.967g/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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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number