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Basic information
- CAS
1000406-42-7- Standard SMILES
N#CC(c1cccc(Br)c1)N1CCNCC1- InChIKey
RLYXNVNKALGHIG-UHFFFAOYSA-N- Molecular formula
- C12H14BrN3
- Average molar mass
- 280.169 g/mol
- Monoisotopic mass
- 279.03710955
Names & identifiers
- Preferred name
- α-(3-Bromophenyl)-1-piperazineacetonitrile
- IUPAC
- (3-Bromophenyl)(piperazin-1-yl)acetonitrile
- English name
- 2-(3-bromophenyl)-2-(piperazin-1-yl)acetonitrile
- Molecular formula
- C12H14BrN3
- Molecular weight
- 280.16366
Names & synonyms
(3-bromophenyl)(1-piperazinyl)acetonitrile1-Piperazineacetonitrile, α-(3-bromophenyl)-2-(3-bromophenyl)-2-(piperazin-1-yl)acetonitrile
Database identifiers
- CAS
1000406-42-7- PubChem CID
- 20115212
- DTXSID
DTXSID801267132
Properties
Physicochemical properties
- Boiling point
- 376.2 · 376.2±42.0 °C(Predicted)
- Density
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- pka
- 8.68 · 8.68±0.10(Predicted)
Chemistry & industry
Suppliers1 total
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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