1-(Prop-2-yn-1-yl)piperidine

HCID 336652

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Basic information

CAS: 5799-75-7
Standard SMILES: C#CCN1CCCCC1
InChIKey: LQSQLFOKTMSBEC-UHFFFAOYSA-N
Molecular formula: C8H13N
Average molar mass: 123.2 g/mol
Monoisotopic mass: 123.10479942

Names & identifiers

Preferred name: 1-(Prop-2-yn-1-yl)piperidine
IUPAC: 1-prop-2-ynylpiperidine
English name: 6-Bromotetrazolo[1,5-a]pyridine
Molecular formula: C8H13N
Molecular weight: 123.2

Names & synonyms

1-(prop-2-yn-1-yl)piperidineDTXSID30319899RefChem:428397DTXCID10271022837-125-25799-75-71-prop-2-ynylpiperidineMFCD005109201-(2-Propyn-1-yl)piperidine1-(PROP-2-YNYL)PIPERIDINEN-(2-Propynyl)piperidinePiperidine, 1-(2-propynyl)-

Show more names

Piperidine, 1-(2-propyn-1-yl)-

1-(2-Propynyl)piperidine1-prop-2-yn-1-ylpiperidineN-propargylpiperidineNSC3515801-prop-2-ynyl-piperidine1-(2-propynyl)-piperidineprop-2-yn-1-yl)piperidine1-(2-Propynyl)piperidine #

Database identifiers

CAS: 5799-75-7
PubChem CID: 336652
DTXSID: DTXSID30319899
EC Number: 837-125-2
Nikkaji: J554.325H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 114

Physicochemical properties

Boiling point: 55 · 55-57 °C(Press: 12 Torr)
Density: 0.8944 g/cm3 · 0.8944 g/cm3
pka: 7.78 · 7.78±0.10(Predicted)
InChI: InChI=1S/C8H13N/c1-2-6-9-7-4-3-5-8-9/h1H,3-8H2
InChIKey: LQSQLFOKTMSBEC-UHFFFAOYSA-N
SMILES: N1(CC#C)CCCCC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.