Basic information
- CAS
412347-39-8- Standard SMILES
Brc1ccc(N2CCNCC2)cn1- InChIKey
OVRZSDRDBJDKBF-UHFFFAOYSA-N- Molecular formula
- C9H12BrN3
- Average molar mass
- 242.12 g/mol
- Monoisotopic mass
- 241.02146
Names & identifiers
- Preferred name
- 1-(6-Bromopyridin-3-yl)piperazine
- IUPAC
- 1-(6-bromo-3-pyridinyl)piperazine
- English name
- 1-(6-Bromo-3-pyridinyl)piperazine
- Molecular formula
- C9H12BrN3
- Molecular weight
- 242.12
Names & synonyms
1-(6-bromopyridin-3-yl)piperazine412347-39-8MFCD099102281-(6-BROMO-3-PYRIDINYL)-PIPERAZINEPiperazine, 1-(6-bromo-3-pyridinyl)-1-(6-bromo-3-pyridyl)piperazine1-(6-Bromo-3-pyridinyl)piperazineCHEMBL209824SCHEMBL594369DTXSID70432218OVRZSDRDBJDKBF-UOVRZSDRDBJDKBF-UHFFFAOYSA-N
Show more names
1-(6-bromopyridin-3-yl)piperazine - [B86718]
BDBM501874361-(6-Bromopyridin-3-yl)-piperazineAKOS023008686AB91082AS-53291SY257701CS-0048758P16291
Database identifiers
- CAS
412347-39-8- PubChem CID
- 9878090
- DTXSID
DTXSID70432218- ChEMBL
CHEMBL209824
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 170.8 · 170.8-171.6 °C
- Boiling point
- 384.3 · 384.3±37.0 °C(Predicted)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8.56 · 8.56±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers18 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
南京菲泓科技有限公司025-58855213 · [email protected]
南京安伦化工科技有限公司025-025-58367986 18913956109 · [email protected]
苏州瑞驰医药技术有限公司0512-50152853 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
Related reactions
5 records
Compound notes
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