| CAS Number | 1682655-57-7 |
| Catalog Number | AG001XYA(AGN-PC-0WBT02) |
| Chemical Name | 2H-Pyran-4-amine, tetrahydro-3-methyl-, hydrochloride (1:1), (3R,4S)-rel- |
| IUPAC Name | (3R,4S)-3-methyloxan-4-amine;hydrochloride |
| InChI | InChI=1S/C6H13NO.ClH/c1-5-4-8-3-2-6(5)7;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m0./s1 |
| InChI Key | KNQUEEOHOGWETD-GEMLJDPKSA-N |
| MDL Number | MFCD28502515 |
| Molecular Formula | C6H14ClNO |
| Molecular Weight | 151.6345 |
| SMILES | N[C@@H]1[C@@H](C)COCC1.[H]Cl |
| Synonyms | 1682655-57-7,
trans-3-Methyl-4-aminotetrahydropyran hydrochloride,
(3R,4S)-3-METHYLOXAN-4-AMINE HYDROCHLORIDE,
trans-3-Methyl-4-aminotetrahydropyran HCl,
1638744-60-1,
SCHEMBL16593281,
MFCD28155151,
MFCD28502515,
SB12639,
KS-0000074B,
trans-3-methyloxan-4-amine hydrochloride,
AK172304,
AS-52769,
CS-0058689,
(3S,4R)-3-Methyltetrahydropyran-4-amine hydrochloride,
(3R,4S)-3-Methyltetrahydro-2H-pyran-4-amine hydrochloride,
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| Complexity | 74.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.634g/mol |
| Monoisotopic Mass | 151.076g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.2A^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