3-Isopentylpyrrolidine
Basic information
- CAS
1087763-41-4- Standard SMILES
CC(C)CCC1CCNC1- InChIKey
MJDVTFNHQHFKTM-UHFFFAOYSA-N- Molecular formula
- C9H19N
- Average molar mass
- 141.25 g/mol
- Monoisotopic mass
- 141.15174961
Names & identifiers
- Preferred name
- 3-Isopentylpyrrolidine
- IUPAC
- 3-(3-methylbutyl)pyrrolidine
- English name
- 3-Isopentylpyrrolidine
- Molecular formula
- C9H19N
- Molecular weight
- 141.25
Names & synonyms
3-ISOPENTYLPYRROLIDINE1087763-41-43-(3-methylbutyl)pyrrolidineSCHEMBL1691628SCHEMBL12784741MTB76341AKOS006336752EN300-1843506A1-43375Pyrrolidine, 3-(3-methylbutyl)-
Database identifiers
- CAS
1087763-41-4- PubChem CID
- 53409754
- EC Number
- 170-025-0
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 88.7
Physicochemical properties
- Boiling point
- 120 · 120-125 °C(Press: 0.15 Torr)
- Density
- 0.82 · 0.820±0.06 g/cm3(Predicted)
- pka
- 10.52 · 10.52±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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
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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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