| CAS Number | 524730-42-5 |
| Catalog Number | AG01ATH0(AGN-PC-0WC00K) |
| Chemical Name | 1-Amino-3-(2-isopropyl-phenoxy)-propan-2-ol |
| IUPAC Name | 1-amino-3-(2-propan-2-ylphenoxy)propan-2-ol |
| InChI | InChI=1S/C12H19NO2/c1-9(2)11-5-3-4-6-12(11)15-8-10(14)7-13/h3-6,9-10,14H,7-8,13H2,1-2H3 |
| InChI Key | HIGYZZYUTJWRJR-UHFFFAOYSA-N |
| MDL Number | MFCD07801193 |
| Molecular Formula | C12H19NO2 |
| Molecular Weight | 209.2848 |
| SMILES | CC(C1=C(OCC(CN)O)C=CC=C1)C |
| Synonyms | 1-Amino-3-(2-isopropyl-phenoxy)-propan-2-ol,
524730-42-5,
1-amino-3-(2-isopropylphenoxy)propan-2-ol,
BAS 13524601,
AC1MCJ4L,
Oprea1_593383,
SCHEMBL9066099,
CTK7E3348,
SBB011229,
AKOS000141539,
AKOS016045801,
MCULE-3780551183,
TR-056407,
1-amino-3-(2-propan-2-ylphenoxy)propan-2-ol,
EN300-241944,
3-amino-1-[2-(methylethyl)phenoxy]propan-2-ol,
CID2770891,
N/A,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.289g/mol |
| Monoisotopic Mass | 209.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number