2-Butylpyrrolidine
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Basic information
- CAS
3446-98-8- Standard SMILES
CCCCC1CCCN1- InChIKey
CKHOSERPJPIUIL-UHFFFAOYSA-N- Molecular formula
- C8H17N
- Average molar mass
- 127.23 g/mol
- Monoisotopic mass
- 127.13609955
Names & identifiers
- Preferred name
- 2-Butylpyrrolidine
- IUPAC
- 2-butylpyrrolidine
- English name
- 2-Butylpyrrolidine
- Molecular formula
- C8H17N
- Molecular weight
- 127.23
Names & synonyms
2-butylpyrrolidine3446-98-82-Butyl-pyrrolidineMFCD02663449SCHEMBL3334797SCHEMBL6042978SCHEMBL6510677DTXSID90397951CKHOSERPJPIUIL-UHFFFAOYSA-NSTK893437AKOS000154592AKOS016343920
Show more names
Pyrrolidine, 2-butyl-2-butylpyrrolidine(SALTDATA: HCl)
AB12052CS-0297439N12661EN300-1263932F8881-8301
Database identifiers
- CAS
3446-98-8- PubChem CID
- 3918599
- DTXSID
DTXSID90397951- Nikkaji
- J3.626.875A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 71
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 226.06 °C · 226.06°C (rough estimate)
- Density
- 0.8277 · 0.8277
- refractive index
- 1.449 · 1.4490 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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