| CAS Number | 50911-63-2 |
| Catalog Number | AG01A7MB(AGN-PC-0KZZ3I) |
| Chemical Name | 1-(3-Aminopropoxy)-2,4-dichlorobenzene |
| IUPAC Name | 3-(2,4-dichlorophenoxy)propan-1-amine |
| InChI | InChI=1S/C9H11Cl2NO/c10-7-2-3-9(8(11)6-7)13-5-1-4-12/h2-3,6H,1,4-5,12H2 |
| InChI Key | YVQIPBKNAFAQFF-UHFFFAOYSA-N |
| MDL Number | MFCD09883063 |
| Molecular Formula | C9H11Cl2NO |
| Molecular Weight | 220.0957 |
| SMILES | NCCCOC1=C(Cl)C=C(Cl)C=C1 |
| Synonyms | 1-(3-aminopropoxy)-2,4-dichlorobenzene,
3-(2,4-dichlorophenoxy)propan-1-amine,
50911-63-2,
AC1MWWTN,
AC1Q54JF,
SCHEMBL7536535,
CTK7E8504,
ZINC4109965,
AKOS000173091,
MCULE-2807969760,
NE25905,
EN300-59144,
Z1262237447,
CID3781178,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.093g/mol |
| Monoisotopic Mass | 219.022g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number