3-(Pyrrolidin-2-yl)quinoline
Basic information
- CAS
499207-38-4- Standard SMILES
c1ccc2ncc(C3CCCN3)cc2c1- InChIKey
QETHIJNTMQASAU-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.11569846
Names & identifiers
- Preferred name
- 3-(Pyrrolidin-2-yl)quinoline
- IUPAC
- 3-pyrrolidin-2-ylquinoline
- English name
- 3-PYRROLIDIN-2-YL-QUINOLINE
- Molecular formula
- C13H14N2
- Molecular weight
- 198.26
Names & synonyms
3-(Pyrrolidin-2-yl)quinolineRefChem:496139868-710-03-Pyrrolidin-2-yl-quinoline499207-38-43-pyrrolidin-2-ylquinolineMFCD05189271CHEMBL61520SCHEMBL28748650DTXSID30398366ZUA20738AKOS005257251
Show more names
Quinoline, 3-(2-pyrrolidinyl)-
G28368EN300-1857753
Database identifiers
- CAS
499207-38-4- PubChem CID
- 3980642
- DTXSID
DTXSID30398366- ChEMBL
CHEMBL61520- EC Number
- 868-710-0
- Nikkaji
- J1.765.306G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 357.6 · 357.6±30.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- pka
- 9.08 · 9.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H302-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H302-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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