| CAS Number | 1052076-92-2 |
| Catalog Number | AG019OTD |
| Chemical Name | 4-(4-Chlorophenoxy)butan-1-amine hydrochloride |
| IUPAC Name | 4-(4-chlorophenoxy)butan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H14ClNO.ClH/c11-9-3-5-10(6-4-9)13-8-2-1-7-12;/h3-6H,1-2,7-8,12H2;1H |
| InChI Key | OJDFCZRYNHCCMV-UHFFFAOYSA-N |
| MDL Number | MFCD07685834 |
| Molecular Formula | C10H15Cl2NO |
| Molecular Weight | 236.1382 |
| SMILES | Cl.NCCCCOC1=CC=C(Cl)C=C1 |
| Synonyms | 4-(4-chlorophenoxy)butan-1-amine hydrochloride,
1052076-92-2,
1-(4-aminobutoxy)-4-chlorobenzene hydrochloride,
AC1Q3DBW,
CTK7E8125,
AKOS008063319,
MCULE-2539338971,
EN300-15171,
F2167-1642,
4-(4-chlorophenoxy)butan-1-amine;hydrochloride,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.136g/mol |
| Monoisotopic Mass | 235.053g/mol |
| Rotatable Bond Count | 5 |
| 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