| CAS Number | 884497-66-9 |
| Catalog Number | AG008CMU(AGN-PC-0WB4Q7) |
| Chemical Name | 2-((2-((1-Bromonaphthalen-2-yl)oxy)ethyl)amino)ethanol |
| IUPAC Name | 2-[2-(1-bromonaphthalen-2-yl)oxyethylamino]ethanol |
| InChI | InChI=1S/C14H16BrNO2/c15-14-12-4-2-1-3-11(12)5-6-13(14)18-10-8-16-7-9-17/h1-6,16-17H,7-10H2 |
| InChI Key | QYNCHTUAIQQTHU-UHFFFAOYSA-N |
| MDL Number | MFCD03710030 |
| Molecular Formula | C14H16BrNO2 |
| Molecular Weight | 310.1863 |
| SMILES | C1(Br)=C(OCCNCCO)C=CC2C=CC=CC1=2 |
| Synonyms | 884497-66-9,
2-({2-[(1-BROMO-2-NAPHTHYL)OXY]ETHYL}AMINO)ETHANOL,
2-[2-(1-bromonaphthalen-2-yl)oxyethylamino]ethanol,
AC1M10G8,
CTK5F9883,
DTXSID60366154,
CHEMBRDG-BB 7014873,
ZINC2510388,
ZX-CM017159,
MFCD03710030,
AKOS022184556,
MCULE-6459164780,
AJ-36445,
Y-0766,
2-((2-((1-Bromonaphthalen-2-yl)oxy)ethyl)amino)ethanol,
2-({2-[(1-Bromonaphthalen-2-yl)oxy]ethyl}amino)ethan-1-ol,
CHEMBRDG-BB7014873,
CID2060268,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.191g/mol |
| Monoisotopic Mass | 309.036g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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