Basic information
- CAS
87394-62-5- Standard SMILES
Nc1cccnc1N1CCNCC1- InChIKey
KZZRPCPYROZNOE-UHFFFAOYSA-N- Molecular formula
- C9H14N4
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.12184645
Names & identifiers
- Preferred name
- 2-(Piperazin-1-yl)pyridin-3-amine
- IUPAC
- 2-piperazin-1-ylpyridin-3-amine
- English name
- 3-Pyridinamine,2-(1-piperazinyl)-(9CI)
- Molecular formula
- C9H14N4
- Molecular weight
- 178.23
Names & synonyms
2-(Piperazin-1-yl)pyridin-3-amine87394-62-52-piperazin-1-ylpyridin-3-amineMFCD09701435CHEMBL456652-Piperazin-1-yl-pyridin-3-ylamineSCHEMBL8415184DTXSID20439196KZZRPCPYROZNOE-UHFFFAOYSA-N1-(3-amino-2-pyridyl)piperazine3-amino-2-(1-piperazinyl)pyridineBDBM50027017
Show more names
2-(1-Piperazinyl)-3-pyridinamine3-Pyridinamine, 2-(1-piperazinyl)-3-Pyridinamine,2-(1-piperazinyl)-(9CI)
GS0770AKOS005208321AS-60775DB-076940EN300-245969F2113-0207
Database identifiers
- CAS
87394-62-5- PubChem CID
- 10397358
- DTXSID
DTXSID20439196- ChEMBL
CHEMBL45665
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 394 · 394.0±37.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 9.35 · 9.35±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 29333990 · 29333990
Safety & regulation
Safety data
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
15 records
Compound notes
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