| CAS Number | 1311313-92-4 |
| Catalog Number | AG01AHQN |
| Chemical Name | 1-(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine hydrochloride |
| IUPAC Name | 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C13H19NO.ClH/c1-4-11(14)9-5-6-12-10(7-9)8-13(2,3)15-12;/h5-7,11H,4,8,14H2,1-3H3;1H |
| InChI Key | JTJJPLNQBDVKLR-UHFFFAOYSA-N |
| MDL Number | MFCD18785565 |
| Molecular Formula | C13H20ClNO |
| Molecular Weight | 241.7570 |
| SMILES | Cl.CCC(C1=CC2=C(OC(C2)(C)C)C=C1)N |
| Synonyms | 1-(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine hydrochloride,
1311313-92-4,
AKOS008152949,
MCULE-4531581602,
NE52664,
EN300-75507,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.759g/mol |
| Monoisotopic Mass | 241.123g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number