| CAS Number | 1208893-73-5 |
| Catalog Number | AG00HFSX(AGN-PC-0WNGMH) |
| Chemical Name | (1S)-1-(5-Fluoropyridin-2-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | (1S)-1-(5-fluoropyridin-2-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C7H9FN2.2ClH/c1-5(9)7-3-2-6(8)4-10-7;;/h2-5H,9H2,1H3;2*1H/t5-;;/m0../s1 |
| InChI Key | HYHHMRDWSZCHPZ-XRIGFGBMSA-N |
| MDL Number | MFCD23381354 |
| Molecular Formula | C7H11Cl2FN2 |
| Molecular Weight | 213.0800 |
| SMILES | Cl.Cl.FC=1C=CC(=NC1)[C@H](C)N |
| Synonyms | 1208893-73-5,
(S)-1-(5-Fluoropyridin-2-yl)ethanamine dihydrochloride,
(S)-1-(5-Fluoropyridin-2-yl)ethanamine 2HCl,
SCHEMBL14672602,
HYHHMRDWSZCHPZ-XRIGFGBMSA-N,
KS-00000U5Q,
MFCD23381354,
AKOS030633001,
AS-47923,
(1S)-1-(5-Fluoropyridin-2-yl)ethan-1-amine dihydrochloride,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.077g/mol |
| Monoisotopic Mass | 212.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number