| CAS Number | 1628810-35-4 |
| Catalog Number | AG001TIA(AGN-PC-0WR2N1) |
| Chemical Name | 2-Pyridinemethanamine, 5-bromo-α,4-dimethyl-, hydrochloride (1:1), (αS)- |
| IUPAC Name | (1S)-1-(5-bromo-4-methylpyridin-2-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H11BrN2.ClH/c1-5-3-8(6(2)10)11-4-7(5)9;/h3-4,6H,10H2,1-2H3;1H/t6-;/m0./s1 |
| InChI Key | XNXZPUVFWDMCIG-RGMNGODLSA-N |
| MDL Number | MFCD27924161 |
| Molecular Formula | C8H12BrClN2 |
| Molecular Weight | 251.5513 |
| SMILES | C[C@H](N)C1=NC=C(Br)C(C)=C1.[H]Cl |
| Synonyms | 1628810-35-4,
(S)-1-(5-Bromo-4-methylpyridin-2-yl)ethanamine hydrochloride,
(S)-1-(5-BROMO-4-METHYLPYRIDIN-2-YL)ETHANAMINE HCL,
SCHEMBL16055137,
XNXZPUVFWDMCIG-RGMNGODLSA-N,
MFCD27924161,
AKOS027252283,
OR52306,
AS-41112,
(S)-1-(5-bromo-4-methylpyridin-2-yl)ethanamine hydrochloride, 95% - 1G 1g,
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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 | 249.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.552g/mol |
| Monoisotopic Mass | 249.987g/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
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number