4-Pyridinepropanenitrile

HCID 7330461

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Basic information

CAS: 84200-06-6
Standard SMILES: N#CCCc1ccncc1
InChIKey: FOQHYGAZLSGRAC-UHFFFAOYSA-N
Molecular formula: C8H8N2
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.06874826

Names & identifiers

Preferred name: 4-Pyridinepropanenitrile
IUPAC: 3-pyridin-4-ylpropanenitrile
English name: 4-Pyridinepropanenitrile
Molecular formula: C8H8N2
Molecular weight: 132.16

Names & synonyms

84200-06-64-PyridinepropanenitrileDTXSID50428533RefChem:296067DTXCID803793673-(Pyridin-4-yl)propanenitrile3-pyridin-4-ylpropanenitrile3-Pyridin-4-yl-propionitrile3-(4-pyridyl)propanenitrileMFCD027557474-(2-cyanoethyl)pyridine4-[2-cyanoethyl]pyridine

Show more names

4-Pyridinepropionitrile3-(Pyridine-4-yl)propanenitrile

4(2-cyanoethyl)pyridine3-(4-Pyridyl)propionitrileSCHEMBL254617SCHEMBL43575853-(Pyridin-4-yl);propanenitrileFOQHYGAZLSGRAC-UHFFFAOYSA-NAKOS010114323SB38951

Database identifiers

CAS: 84200-06-6
PubChem CID: 7330461
DTXSID: DTXSID50428533
Nikkaji: J3.806.354E

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 302 °C · 302 °C
Density: 1.054 · 1.054
Flash point: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313