| CAS Number | 1914157-93-9 |
| Catalog Number | AG002F7Y(AGN-PC-0WAMCH) |
| Chemical Name | 4-Pyridinemethanamine, 2-methoxy-α-methyl-, hydrochloride (1:1), (αS)- |
| IUPAC Name | (1S)-1-(2-methoxypyridin-4-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C8H12N2O.ClH/c1-6(9)7-3-4-10-8(5-7)11-2;/h3-6H,9H2,1-2H3;1H/t6-;/m0./s1 |
| InChI Key | QQVOVRIZVVJBJS-RGMNGODLSA-N |
| MDL Number | MFCD29044870 |
| Molecular Formula | C8H13ClN2O |
| Molecular Weight | 188.6546 |
| SMILES | C[C@H](N)C1=CC(OC)=NC=C1.[H]Cl |
| Synonyms | (S)-1-(2-Methoxypyridin-4-yl)ethanamine hydrochloride,
1914157-93-9,
AK174211,
KS-00000T3L,
MFCD29044870,
AKOS025404685,
DS-8676,
4-Pyridinemethanamine, 2-methoxy-alpha-methyl-, hydrochloride (1:1), (alphaS)-,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.655g/mol |
| Monoisotopic Mass | 188.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.1A^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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Signal Words
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warning
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UN Code
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Certificate of Analysis
Lot Number