| CAS Number | 103990-06-3 |
| Catalog Number | AG019X1D |
| Chemical Name | 1-[4-(propan-2-yloxy)phenyl]ethan-1-amine hydrochloride |
| IUPAC Name | 1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C11H17NO.ClH/c1-8(2)13-11-6-4-10(5-7-11)9(3)12;/h4-9H,12H2,1-3H3;1H |
| InChI Key | ZFAXPIYAUOLSGN-UHFFFAOYSA-N |
| MDL Number | MFCD13195934 |
| Molecular Formula | C11H18ClNO |
| Molecular Weight | 215.7197 |
| SMILES | Cl.CC(OC1=CC=C(C(N)C)C=C1)C |
| Synonyms | 1-[4-(propan-2-yloxy)phenyl]ethan-1-amine hydrochloride,
103990-06-3,
CTK6B0755,
AC1Q3958,
NE15718,
EN300-53771,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.721g/mol |
| Monoisotopic Mass | 215.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number