| CAS Number | 1158439-33-8 |
| Catalog Number | AG00HD33(AGN-PC-0WCUXJ) |
| Chemical Name | 1-(2-Aminoethoxy)-2-(propan-2-yl)benzene hydrochloride |
| IUPAC Name | 2-(2-propan-2-ylphenoxy)ethanamine;hydrochloride |
| InChI | InChI=1S/C11H17NO.ClH/c1-9(2)10-5-3-4-6-11(10)13-8-7-12;/h3-6,9H,7-8,12H2,1-2H3;1H |
| InChI Key | LKDAHFZOZASVEC-UHFFFAOYSA-N |
| MDL Number | MFCD09840986 |
| Molecular Formula | C11H18ClNO |
| Molecular Weight | 215.7197 |
| SMILES | Cl.CC(C1=C(OCCN)C=CC=C1)C |
| Synonyms | 1158439-33-8,
1-(2-aminoethoxy)-2-(propan-2-yl)benzene hydrochloride,
[2-(2-isopropylphenoxy)ethyl]amine hydrochloride,
2-[2-(propan-2-yl)phenoxy]ethan-1-amine hydrochloride,
MFCD01907046,
AKOS030235759,
MCULE-1512265748,
[2-(2-isopropylphenoxy)ethyl]amine HCl,
EN300-74789,
Z1266933918,
|
| Complexity | 136 |
| 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 | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number