| CAS Number | 1344279-75-9 |
| Catalog Number | AG01AW2B |
| Chemical Name | 4-{[1-(2-chlorophenyl)ethyl]amino}butan-2-ol |
| IUPAC Name | 4-[1-(2-chlorophenyl)ethylamino]butan-2-ol |
| InChI | InChI=1S/C12H18ClNO/c1-9(15)7-8-14-10(2)11-5-3-4-6-12(11)13/h3-6,9-10,14-15H,7-8H2,1-2H3 |
| InChI Key | GDXOJKNKDADUND-UHFFFAOYSA-N |
| MDL Number | MFCD20439006 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | CC(CCNC(C1=C(Cl)C=CC=C1)C)O |
| Synonyms | 4-{[1-(2-chlorophenyl)ethyl]amino}butan-2-ol,
1344279-75-9,
AKOS014241401,
EN300-161929,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.732g/mol |
| Monoisotopic Mass | 227.108g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number