| CAS Number | 6627-99-2 |
| Catalog Number | AG019KZE(AGN-PC-05RDJD) |
| Chemical Name | 2-bromo-3-methyl-1-(morpholin-4-yl)butan-1-one |
| IUPAC Name | 2-bromo-3-methyl-1-morpholin-4-ylbutan-1-one |
| InChI | InChI=1S/C9H16BrNO2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6H2,1-2H3 |
| InChI Key | WRMJBKOESLCMKX-UHFFFAOYSA-N |
| MDL Number | MFCD00023352 |
| Molecular Formula | C9H16BrNO2 |
| Molecular Weight | 250.1328 |
| NSC Number | 60271 |
| SMILES | CC(C(C(N1CCOCC1)=O)Br)C |
| Synonyms | 2-bromo-3-methyl-1-(morpholin-4-yl)butan-1-one,
6627-99-2,
NSC-60271,
AKOS000191030,
AKOS023869225,
MCULE-8446684416,
NE30060,
2-Bromo-3-methyl-1-morpholinobutan-1-one,
EN300-29146,
2-bromo-3-methyl-1-morpholin-4-ylbutan-1-one,
AR-1D9461,
CID246775,
4-(2-BROMOISOVALERYL)-MORPHOLINE,
74636-68-3,
NSC60271,
AC1L6ITH,
AC1Q1NZR,
AC1Q1NZS,
AC1Q5KBG,
SCHEMBL5206904,
CTK5I5729,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.136g/mol |
| Monoisotopic Mass | 249.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number