| CAS Number | 5790-40-9 |
| Catalog Number | AG01FM7Z(AGN-PC-0JMXXV) |
| Chemical Name | 1-(2-isopropyl-5-methylphenoxy)-3-(isopropylamino)propan-2-ol hydrochloride |
| IUPAC Name | 1-(5-methyl-2-propan-2-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride |
| InChI | InChI=1S/C16H27NO2.ClH/c1-11(2)15-7-6-13(5)8-16(15)19-10-14(18)9-17-12(3)4;/h6-8,11-12,14,17-18H,9-10H2,1-5H3;1H |
| InChI Key | HCRQFQGEYOXNTH-UHFFFAOYSA-N |
| MDL Number | MFCD01222276 |
| Molecular Formula | C16H28ClNO2 |
| Molecular Weight | 301.8520 |
| SMILES | Cl.CC(C)NCC(O)COC1=C(C=CC(C)=C1)C(C)C |
| Synonyms | 5790-40-9,
1-(Isopropylamino)-3-(thymyloxy)-2-propanol hydrochloride,
2-Propanol, 1-(isopropylamino)-3-(thymyloxy)-, hydrochloride,
1-(2-isopropyl-5-methylphenoxy)-3-(isopropylamino)propan-2-ol hydrochloride,
1-(2-Isopropyl-5-methylphenoxy)-3-(isopropylamino)-propan-2-ol hydrochloride,
AC1L4667,
AKOS016394537,
LS-122422,
VU0488194-1,
SR-01000196876,
SR-01000196876-1,
F0050-0011,
1-(5-methyl-2-propan-2-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride,
C16H27NO2.ClH,
C16-H27-N-O2.Cl-H,
CID201300,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.855g/mol |
| Monoisotopic Mass | 301.181g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number