CAS 7223-42-9 1-(Prop-2-yn-1-yl)pyrrolidine (HCID 299616)

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Basic information

CAS: 7223-42-9
Standard SMILES: C#CCN1CCCC1
InChIKey: IUGUPWHFLZEPHN-UHFFFAOYSA-N
Molecular formula: C7H11N
Average molar mass: 109.17 g/mol
Monoisotopic mass: 109.08914935

Names & identifiers

Preferred name: 1-(Prop-2-yn-1-yl)pyrrolidine
IUPAC: 1-prop-2-ynylpyrrolidine
English name: 3-(Prop-2-yn-1-yloxy)pyridine
Molecular formula: C7H11N
Molecular weight: 109.17

Names & synonyms

1-(prop-2-yn-1-yl)pyrrolidineDTXSID90305950RefChem:428401DTXCID20257079825-002-67223-42-91-(PROP-2-YNYL)PYRROLIDINE1-prop-2-ynylpyrrolidine1-(2-Propyn-1-yl)pyrrolidine1-(2-Propynyl)pyrrolidineMFCD037273291-Prop-2-yn-1-ylpyrrolidine

Show more names

3-(Prop-2-yn-1-yloxy)pyridinePyrrolidine, 1-(2-propyn-1-yl)-1-(prop-2-yn-1-yl)pyrrolidine(WXC07752)

1-(2-Propyn-1-yl)pyrrolidine HClNSC172884N-Propargylpyrrolidine1-Propargylpyrrolidine3-pyrrolidinoprop-1-yneN-(2-Propynyl)pyrrolidine1-prop-2-ynyl-pyrrolidineSCHEMBL123292

Database identifiers

CAS: 7223-42-9
PubChem CID: 299616
DTXSID: DTXSID90305950
EC Number: 825-002-6
Nikkaji: J554.326F

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 103

Physicochemical properties

Boiling point: 74 · 74-77 °C(Press: 85 Torr)
Density: 0.8792 g/cm3 · 0.8792 g/cm3
storage temp.: 2 · Storage temp. 2-8°C
pka: 8.54 · 8.54±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H302-H312-H332-H314
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501

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, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
Hazard statements: H225-H302-H312-H332-H314
Precautionary statements: P210-P233-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501