| CAS Number | 1305712-13-3 |
| Catalog Number | AG01AGIV |
| Chemical Name | 2-[4-(2-methylpropoxy)phenyl]propan-2-amine hydrochloride |
| IUPAC Name | 2-[4-(2-methylpropoxy)phenyl]propan-2-amine;hydrochloride |
| InChI | InChI=1S/C13H21NO.ClH/c1-10(2)9-15-12-7-5-11(6-8-12)13(3,4)14;/h5-8,10H,9,14H2,1-4H3;1H |
| InChI Key | KXPUFVRIECXOKR-UHFFFAOYSA-N |
| MDL Number | MFCD18089437 |
| Molecular Formula | C13H22ClNO |
| Molecular Weight | 243.7729 |
| SMILES | Cl.CC(COC1=CC=C(C(N)(C)C)C=C1)C |
| Synonyms | 2-[4-(2-methylpropoxy)phenyl]propan-2-amine hydrochloride,
1305712-13-3,
AC1Q3930,
AKOS008143950,
MCULE-9755039023,
NE16257,
EN300-71988,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.775g/mol |
| Monoisotopic Mass | 243.139g/mol |
| Rotatable Bond Count | 4 |
| 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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