| CAS Number | 676134-25-1 |
| Catalog Number | AG01DWL7(AGN-PC-0TP4V9) |
| Chemical Name | (4s)-6-(Propan-2-yl)-3,4-dihydro-2h-1-benzopyran-4-amine hydrochloride |
| IUPAC Name | (4S)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine;hydrochloride |
| InChI | InChI=1S/C12H17NO.ClH/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12;/h3-4,7-8,11H,5-6,13H2,1-2H3;1H/t11-;/m0./s1 |
| InChI Key | MKGWECWQYNDBFZ-MERQFXBCSA-N |
| MDL Number | MFCD22393198 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | N[C@H]1CCOC2=C1C=C(C=C2)C(C)C.[H]Cl |
| Synonyms | 676134-25-1,
(4S)-6-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride,
(s)-6-isopropylchroman-4-amine hydrochloride,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.732g/mol |
| Monoisotopic Mass | 227.108g/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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