| CAS Number | 49785-85-5 |
| Catalog Number | AG003IZN(AGN-PC-0NI18E) |
| Chemical Name | 3-Bromo-1-methyl-2-piperidone |
| IUPAC Name | 3-bromo-1-methylpiperidin-2-one |
| InChI | InChI=1S/C6H10BrNO/c1-8-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3 |
| InChI Key | BCDLQVAFWJZKTG-UHFFFAOYSA-N |
| MDL Number | MFCD19678887 |
| Molecular Formula | C6H10BrNO |
| Molecular Weight | 192.0537 |
| SMILES | O=C1N(C)CCCC1Br |
| Synonyms | 3-Bromo-1-methyl-2-piperidone,
49785-85-5,
3-bromo-1-methylpiperidin-2-one,
2-Piperidinone, 3-bromo-1-methyl-,
SCHEMBL11606981,
1-Methyl-3-bromopiperidine-2-one,
KS-00000DP1,
MFCD19678887,
AKOS013529203,
NE40036,
TRA0043549,
CS-11822,
SY030813,
FT-0718966,
MFCD19678887 (95%),
3-bromo-1-methyl-2-Piperidinone,
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| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.056g/mol |
| Monoisotopic Mass | 190.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number