| CAS Number | 1391439-31-8 |
| Catalog Number | AG001ADK(AGN-PC-0WD2DD) |
| Chemical Name | Benzenemethanamine, 2,5-difluoro-α-methyl-, hydrochloride (1:1), (αS)- |
| IUPAC Name | (1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H9F2N.ClH/c1-5(11)7-4-6(9)2-3-8(7)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1 |
| InChI Key | NQFUIZOIKVFLIM-JEDNCBNOSA-N |
| MDL Number | MFCD12757706 |
| Molecular Formula | C8H10ClF2N |
| Molecular Weight | 193.6215 |
| SMILES | C[C@H](N)C1=CC(F)=CC=C1F.[H]Cl |
| Synonyms | (S)-1-(2,5-Difluorophenyl)ethanamine hydrochloride,
1391439-31-8,
1201363-81-6,
(S)-1-(2,5-difluorophenyl)ethan-1-amine hydrochloride,
SCHEMBL20237775,
DTXSID40704171,
AKOS015923170,
ACN-054726,
AX8255635,
(1S)-1-(2,5-Difluorophenyl)ethan-1-amine--hydrogen chloride (1/1),
Benzenemethanamine, 2,5-difluoro-alpha-methyl-, hydrochloride (1:1), (alphaS)-,
(S)-1-(2,5-DIFLUOROPHENYL)ETHANAMINE-HCl,
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| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.622g/mol |
| Monoisotopic Mass | 193.047g/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