Basic information
- CAS
4734-49-0- Standard SMILES
N#CCCCCN1CCCCC1- InChIKey
FDSRLFIEZWQEEU-UHFFFAOYSA-N- Molecular formula
- C10H18N2
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.14699858
Names & identifiers
- Preferred name
- Piperidine-1-valeronitrile
- IUPAC
- 5-piperidin-1-ylpentanenitrile
- English name
- 5-Piperidinovaleronitrile
- Molecular formula
- C10H18N2
- Molecular weight
- 166.26
Names & synonyms
4734-49-0Piperidine-1-valeronitrile1-PiperidinepentanenitrileEINECS 225-243-1DTXSID90197110NSC 96984RefChem:863576DTXCID00119601225-243-15-(PIPERIDIN-1-YL)PENTANENITRILE5-piperidin-1-ylpentanenitrilePiperidinepentanenitrile
Show more names
5-Piperidinovaleronitrile5-Piperidinovaleronitrile,96%
K863RVK4W7NSC-96984NSC969845-PIPERIDIN-1-YLVALERONITRILEMFCD000448361-PiperidinevaleronitrileUNII-K863RVK4W7SCHEMBL151720
Database identifiers
- CAS
4734-49-0- PubChem CID
- 78472
- DTXSID
DTXSID90197110- UNII
- K863RVK4W7
- EC Number
- 225-243-1
- Nikkaji
- J262.419B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 106 · 106-109 °C(Press: 3 Torr)
- Density
- 0.934 · 0.934±0.06 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.10(Predicted)
- CAS DataBase Reference
- 4734 · 4734-49-0
- FDA UNII
- 863 RVK4W7 · K863RVK4W7
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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