| CAS Number | 1021871-66-8 |
| Catalog Number | AG019S50 |
| Chemical Name | 2-(3-chlorophenoxy)propan-1-amine hydrochloride |
| IUPAC Name | 2-(3-chlorophenoxy)propan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H12ClNO.ClH/c1-7(6-11)12-9-4-2-3-8(10)5-9;/h2-5,7H,6,11H2,1H3;1H |
| InChI Key | VHIJKCFWOLCCFC-UHFFFAOYSA-N |
| MDL Number | MFCD20441772 |
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 222.1116 |
| SMILES | Cl.CC(OC1=CC(Cl)=CC=C1)CN |
| Synonyms | 1-[(1-aminopropan-2-yl)oxy]-3-chlorobenzene hydrochloride,
1021871-66-8,
2-(3-chlorophenoxy)propan-1-amine hydrochloride,
AKOS008148083,
MCULE-6824388584,
NE16622,
EN300-91797,
F2167-1753,
Z1263820268,
2-(3-chlorophenoxy)propan-1-amine;hydrochloride,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 221.037g/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