2-Pyrrolidinone, 1-hexyl-
Basic information
- CAS
4838-65-7- Standard SMILES
CCCCCCN1CCCC1=O- InChIKey
BAWUFGWWCWMUNU-UHFFFAOYSA-N- Molecular formula
- C10H19NO
- Average molar mass
- 169.26 g/mol
- Monoisotopic mass
- 169.14666423
Names & identifiers
- Preferred name
- 2-Pyrrolidinone, 1-hexyl-
- IUPAC
- 1-hexylpyrrolidin-2-one
- English name
- 1-Hexyl-pyrrolidin-2-one
- Molecular formula
- C10H19NO
- Molecular weight
- 169.26
Names & synonyms
4838-65-71-Hexyl-2-pyrrolidone2-Pyrrolidinone, 1-hexyl-BRN 1525259DTXSID401975045-21-06-00329 (Beilstein Handbook Reference)RefChem:266880DTXCID10119995610-419-61-hexylpyrrolidin-2-oneN-Hexyl-2-pyrrolidinone1-hexyl-pyrrolidin-2-one
Show more names
N-Hexyl-2-pyrroildone
N-HEXYL pyrrolidoneMFCD01310443n-hexyl-2-pyrrolidone1-hexyl-2-pyrrolidinon1-hexyl-2-pyrrolidinone1-Hexyl-2-pyrrolizinonen-hexylpyrrolidone-21-HEXYLPYRROLIDONE-2
Database identifiers
- CAS
4838-65-7- PubChem CID
- 78555
- DTXSID
DTXSID40197504- EC Number
- 610-419-6
- Nikkaji
- J281.995C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
LogP2.6
Physicochemical properties
- Melting point
- 4 ℃ · 4℃
- Boiling point
- 278 ℃ · 278℃
- Density
- 0.94 · 0.940
- refractive index
- 1.463 · 1.4630
- Flash point
- 116 ℃ · 116℃
- pka
- -0.35 · -0.35±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
- 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
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Related reactions
1 records
Compound notes
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