Basic information
- CAS
71172-23-1- Standard SMILES
C(#CCN1CCCC1)CCCN1CCCC1- InChIKey
RMIZJARWWRAPCN-UHFFFAOYSA-N- Molecular formula
- C14H24N2
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.19394877
Names & identifiers
- Preferred name
- 1,6-Bis(pyrrolidino)-2-hexyne
- IUPAC
- 1-(6-pyrrolidin-1-ylhex-2-ynyl)pyrrolidine
- English name
- 1,6-Bis(pyrrolidino)-2-hexyne
- Molecular formula
- C14H24N2
- Molecular weight
- 220.35
Names & synonyms
1,6-Bis(Pyrrolidino)-2-HexyneRefChem:417550684-742-671172-23-11-(6-(1-Pyrrolidinyl)-4-hexynyl)pyrrolidine1-(6-pyrrolidin-1-ylhex-2-ynyl)pyrrolidine1,1'-(Hex-2-yne-1,6-diyl)dipyrrolidineNSC59768NSC-59768NSC 59768YW8AJJ8CHF1,6-Dipyrrolidino-2-hexyne
Show more names
Pyrrolidine, 1,1'-(2-hexyne-1,6-diyl)bis- (9CI)
DTXSID30221362RMIZJARWWRAPCN-UHFFFAOYSA-NAKOS024322982ST50443047Pyrrolidine, 1,1'-(2-hexyne-1,6-diyl)bis-1-[6-(PYRROLIDIN-1-YL)HEX-2-YN-1-YL]PYRROLIDINE
Database identifiers
- CAS
71172-23-1- PubChem CID
- 246540
- DTXSID
DTXSID30221362- UNII
- YW8AJJ8CHF
- EC Number
- 684-742-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 150 °C · 150 °C(Press: 3 Torr)
- Density
- 0.99 · 0.990±0.06 g/cm3(Predicted)
- pka
- 10.23 · 10.23±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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