4-Propylpiperidine
Basic information
- CAS
22398-09-0- Standard SMILES
CCCC1CCNCC1- InChIKey
RQGBFVLTFYRYKB-UHFFFAOYSA-N- Molecular formula
- C8H17N
- Average molar mass
- 127.23 g/mol
- Monoisotopic mass
- 127.13609954
Names & identifiers
- Preferred name
- 4-Propylpiperidine
- IUPAC
- 4-propylpiperidine
- English name
- 4-n-Propylpiperidine
- Molecular formula
- C8H17N
- Molecular weight
- 127.23
Names & synonyms
4-PropylpiperidinePIPERIDINE, 4-PROPYL-EINECS 244-956-9BRN 0102935DTXSID301769245-20-04-00208 (Beilstein Handbook Reference)RefChem:100431DTXCID8099415244-956-9RQGBFVLTFYRYKB-UHFFFAOYSA-N22398-09-04-n-Propylpiperidine
Show more names
AKOS B016037ART-CHEM-BB B016037
4-(n-Propyl)piperidine4-propyl-piperidineMFCD000231514-propyl-piperidin4-PROPLYPIPERIDINE4-(prop-1-yl)piperidineSCHEMBL26805SCHEMBL311338
Database identifiers
- CAS
22398-09-0- PubChem CID
- 31169
- DTXSID
DTXSID30176924- UNII
- R5329R4DGY
- EC Number
- 244-956-9
- Nikkaji
- J35.456B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -1 °C · -1°C (estimate)
- Boiling point
- 178 · 178-180°C
- Density
- 0.864 · 0.864
- RTECS
- 3740005 · TN3740005
- refractive index
- 1.453 · 1.4530
- Flash point
- 178 · 178-180°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- liquid
- pka
- 10.7 · 10.70±0.10(Predicted)
- color
- Clear, colourless
- Sensitive
- Air Sensitive
- CAS DataBase Reference
- 22398 · 22398-09-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
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
H225 (86.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (86.7%)
Safety data
- ridadr
- UN1993
- hs_code
- 38220090
- Toxicity
- mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06400,
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- Xi
- hazard_note
- Irritant
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H226-H314
- Precautionary statements
- P210-P310-P280
Related reactions
7 records
Compound notes
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