| CAS Number | 1263094-16-1 |
| Catalog Number | AG000SJK(AGN-PC-0WAMUM) |
| Chemical Name | 2-Pyridinemethanamine, 5-bromo-α-methyl-, hydrochloride (1:1), (αS)- |
| IUPAC Name | (1S)-1-(5-bromopyridin-2-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C7H9BrN2.ClH/c1-5(9)7-3-2-6(8)4-10-7;/h2-5H,9H2,1H3;1H/t5-;/m0./s1 |
| InChI Key | KSGKDUJWJNDXCO-JEDNCBNOSA-N |
| MDL Number | MFCD12068495 |
| Molecular Formula | C7H10BrClN2 |
| Molecular Weight | 237.5247 |
| SMILES | C[C@H](N)C1=NC=C(Br)C=C1.[H]Cl |
| Synonyms | 1263094-16-1,
(S)-1-(5-Bromopyridin-2-yl)ethanamine hydrochloride,
AK321169,
KS-00000PR6,
AKOS027326107,
DS-11757,
CS-0038917,
(S)-1-(5-Bromo-pyridin-2-yl)-ethylaminehydrochloride,
(R)-1-(5-Bromo-pyridin-2-yl)-ethylamine hydrochloride,
(1S)-1-(5-bromopyridin-2-yl)ethan-1-amine hydrochloride,
(R)-1-(5-BROMO-PYRIDIN-2-YL)-ETHYLAMINEDIHYDROCHLORIDE,
2-Pyridinemethanamine, 5-bromo-alpha-methyl-, hydrochloride (1:1), (alphaS)-,
KSGKDUJWJNDXCO-JEDNCBNOSA-N,
(1r)-1-(5-bromo-2-pyridyl)ethanamine hcl,
(S)-1-(5-Bromo-pyridin-2-yl)-ethylamine HCl,
(r)-1-(5-bromo-pyridin-2-yl)-ethylamine dihydrochloride,
953780-70-6,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.525g/mol |
| Monoisotopic Mass | 235.972g/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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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