Basic information
- CAS
3238-60-6- Standard SMILES
CCCC1CCCCN1- InChIKey
NDNUANOUGZGEPO-UHFFFAOYSA-N- Molecular formula
- C8H17N
- Average molar mass
- 127.23 g/mol
- Monoisotopic mass
- 127.13609955
Names & identifiers
- Preferred name
- 2-Propylpiperidine
- IUPAC
- 2-propylpiperidine
- English name
- 2-Propylpiperidine
- Molecular formula
- C8H17N
- Molecular weight
- 127.23
Names & synonyms
Show more names
Database identifiers
- CAS
3238-60-6、458-88-8- PubChem CID
- 9985
- DTXSID
DTXSID3046821- ChEMBL
CHEMBL21867- ChEBI
CHEBI:229941- UNII
- 04R53ZF48T
- EC Number
- 221-801-3
- Nikkaji
- J1.077.264H
Properties
Computed structural properties
- XLogP
- 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
- 71
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -2 ℃ · -2℃
- Boiling point
- 56 · 56-60 °C(Press: 13 Torr)
- Density
- 0.85 g/mL · 0.85 g/mL at 25 °C(lit.)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- liquid
- pka
- 1 · pK1:11.24(+1) (25°C,μ=0.5)
- color
- , clear colorless to yellow-green
- CAS DataBase Reference
- 3238 · 3238-60-6(CAS DataBase Reference)
- FDA UNII
- 4 R53ZF48T · 04R53ZF48T
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 226 · H226-H301-H311-H331-H351
- Precautionary statements
- 201 · P201-P202-P210-P233-P240-P241-P242-P243-P260-P264-P270-P271-P280-P281-P301+P310-P302+P352-P303+P361+P353-P304+P340-P308+P313-P311-P312-P321-P322-P330-P361-P363-P370+P378-P403+P233-P403+P235-P405-P501
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25-40
- Safety Statements
- 22 · 22-36/37/39-45
- RIDADR
- 2810 · UN 2810 6.1/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
- Toxicity
- Piperidine alkaloid obtained from poison hemlock, Conium maculatum. Alkaline, steam volatile liquid (b.p. 167_x0003_C), mousy odor. Darkens and polymerizes in air. It can be reduced at high temperature with HI to n-octane and oxidized to pyridine-1-carboxylic acid. The hydrochloride is used as an antispasmodic.
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids];H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal];H331 (97.5%): Toxic if inhaled [Danger Acute toxicity, inhalation];H351 (97.5%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P318, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Toxicology
Toxicity Summary
(S)-2-Propylpiperidine is a neurotoxin which disrupts the peripheral nervous system. It is toxic to humans and all classes of livestock; less than 0.2g is fatal to humans, with death caused by respiratory paralysis. Propylpiperidine has a nicotine-like action in first stimulating and then depressing autonomic ganglia, and a curare-like effect in paralysing the motor nerve endings to the skeletal muscles.
Safety data
- wgk
- 3
- ridadr
- UN 2810 6.1/PG 2
- hs_code
- 2933399990
- Toxicity
- Piperidine alkaloid obtained from poison hemlock, Conium maculatum. Alkaline, steam volatile liquid (b.p. 167_x0003_C), mousy odor. Darkens and polymerizes in air. It can be reduced at high temperature with HI to n-octane and oxidized to pyridine-1-carboxylic acid. The hydrochloride is used as an antispasmodic.
- risk_code
- 23/24/25-40
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- T
- safety_code
- 22-36/37/39-45
- hazard_class
- IRRITANT
- Hazard statements
- H226-H301-H311-H331-H351
- Precautionary statements
- P201-P202-P210-P233-P240-P241-P242-P243-P260-P264-P270-P271-P280-P281-P301+P310-P302+P352-P303+P361+P353-P304+P340-P308+P313-P311-P312-P321-P322-P330-P361-P363-P370+P378-P403+P233-P403+P235-P405-P501
Chemistry & industry
Pharmacology
Uses & manufacturing
Applications
UsesConiine is present in all parts of the plantpoison hemlock (Conium maculatum). It isthe first alkaloid to be synthesized and structure determined. Because of its high toxicity,its clinical application is very limited.
Suppliers35 total
Related reactions
Compound notes
Loading…