| CAS Number | 1269756-02-6 |
| Catalog Number | AG01AFBX |
| Chemical Name | (1S)-1-(oxan-4-yl)ethan-1-amine hydrochloride |
| IUPAC Name | (1S)-1-(oxan-4-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C7H15NO.ClH/c1-6(8)7-2-4-9-5-3-7;/h6-7H,2-5,8H2,1H3;1H/t6-;/m0./s1 |
| InChI Key | KDFIFVOGSYITNL-RGMNGODLSA-N |
| MDL Number | MFCD19382427 |
| Molecular Formula | C7H16ClNO |
| Molecular Weight | 165.6610 |
| SMILES | C[C@@H](C1CCOCC1)N.Cl |
| Synonyms | (1S)-1-(oxan-4-yl)ethan-1-amine hydrochloride,
1269756-02-6,
(S)-1-(Tetrahydro-2H-pyran-4-yl)ethan-1-amine hydrochloride,
SCHEMBL1440991,
AKOS026727825,
|
| Complexity | 79 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.661g/mol |
| Monoisotopic Mass | 165.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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