2-Propylpiperidine

HCID 9985

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

2-PropylpiperidineRefChem:4832873238-60-62-N-propylpiperidinedl-Coniine(+/-)-Coniinepiperidine, 2-propyl-(S)-2-Propylpiperidine(S)-ConiineMFCD00056022DTXSID3046821CONIINE, D/L-(RG)
Show more names
CONIINE(±)-Coniinerac-coniine(+/-)CONINECONIINE, DL-2-PRIOPYLPIPERIDINE(R)-2-Propylpiperidine
10388-95-1Piperidine, 2-propyl-, (2S)-04R53ZF48T( inverted exclamation markA)-ConiineNCGC00181040-01DTXCID1026821HSDB 3474EINECS 207-282-6

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

Experimental & physicochemical properties

Solubility18 mg/mL
Melting Point-2 °C
Physical DescriptionLiquid
Kovats Retention Index992

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)

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Hazard Classes and CategoriesFlam. Liq. 3 (97.5%);Acute Tox. 3 (97.5%);Acute Tox. 3 (97.5%);Acute Tox. 3 (97.5%);Carc. 2 (97.5%)

Toxicology

Health EffectsDisruption of the peripheral nervous system; respiratory paralysis; death.
Toxicity Summary · 1 item

(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.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

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

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm;Extracellular

Uses & manufacturing

Uses(S)-2-Propylpiperidine is found in black elderberry.

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

广州诚创生物科技有限公司18027266590 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]

Related reactions

4 records

Compound notes

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