| CAS Number | 1266695-99-1 |
| Catalog Number | AG01B5ID |
| Chemical Name | 2-([2-(3-Chlorophenyl)-2-hydroxyethyl]amino)-2-methylpropan-1-ol |
| IUPAC Name | 2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol |
| InChI | InChI=1S/C12H18ClNO2/c1-12(2,8-15)14-7-11(16)9-4-3-5-10(13)6-9/h3-6,11,14-16H,7-8H2,1-2H3 |
| InChI Key | YFZYUTRLOMRWGU-UHFFFAOYSA-N |
| MDL Number | MFCD19381419 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | CC(NCC(C1=CC(Cl)=CC=C1)O)(CO)C |
| Synonyms | 2-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-methylpropan-1-ol,
1266695-99-1,
SCHEMBL4656006,
AKOS016375335,
MCULE-9361886719,
NS-03481,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number