1-Butylpyrrolidine
Properties
- Molecular formula
- C8H17N
- Molar mass
- 127.23 g/mol
- Exact mass
- 127.1361 Da
- Density
- 0.8143 g/mL (at 20 °C)
- Boiling point
- 154.5 °C
- logP
- 1.88Crippen estimate
- Polar surface area
- 3.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P262, P264, P270, P280, P301+P316, P302+P352, P303+P361+P353, P316, P321, P330, P361+P364, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
767-10-2SMILES
CCCCN1CCCC1InChIKey
JSHASCFKOSDFHY-UHFFFAOYSA-NInChI
InChI=1S/C8H17N/c1-2-3-6-9-7-4-5-8-9/h2-8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Pyrrolidine, 1-butyl-
- N-Butylpyrrolidine
- N-Butyltetrahydropyrrole
Reactions
Work with 1-Butylpyrrolidine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Tributylamine102-82-993 % similar
Tripentylamine621-77-287 % similar
Trihexylamine102-86-381 % similar
Tridodecylamine102-87-481 % similar
Trioctylamine1116-76-381 % similar
Triheptylamine2411-36-181 % similar
Butyldiethanolamine102-79-465 % similar
2-(Dibutylamino)ethanol102-81-865 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds