Basic information
- CAS
329713-82-8- Standard SMILES
CC1CCN(C(=O)c2ccc(Br)cc2)CC1- InChIKey
AERDAUHOGLBWMX-UHFFFAOYSA-N- Molecular formula
- C13H16BrNO
- Average molar mass
- 282.18 g/mol
- Monoisotopic mass
- 281.04153
Names & identifiers
- Preferred name
- 1-(4-Bromobenzoyl)-4-methylpiperidine
- IUPAC
- (4-bromophenyl)-(4-methylpiperidin-1-yl)methanone
- English name
- 1-(4-bromobenzoyl)-4-methylpiperidine
- Molecular formula
- C13H16BrNO
- Molecular weight
- 282.18
Names & synonyms
1-(4-bromobenzoyl)-4-methylpiperidine329713-82-8(4-bromophenyl)-(4-methylpiperidin-1-yl)methanoneMFCD00783631(4-bromophenyl)(4-methylpiperidin-1-yl)methanoneCBMicro_018882DTXSID50353896HMS1678A14CCG-7000STK0275514-bromophenyl 4-methylpiperidyl ketoneAKOS000185456
Show more names
(4-Bromophenyl)(4-methyl-1-piperidinyl)methanoneMethanone, (4-bromophenyl)(4-methyl-1-piperidinyl)-
BIM-0018960.P001ST50233827(4-bromophenyl)-(4-methyl-1-piperidyl)methanoneAB00082181-01AG-670/34983050F091221
Database identifiers
- CAS
329713-82-8- PubChem CID
- 757477
- DTXSID
DTXSID50353896
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- CAS DataBase Reference
- 329713 · 329713-82-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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