Pyrrolidine

C₄H₉NCAS 123-75-171.12 g/mol

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Secondary amine

Properties

Molecular formula: C₄H₉N
Molar mass: 71.12 g/mol
Exact mass: 71.0735 Da
Density: 0.852 g/mL (at 22.5 °C)
Melting point: 57.69 °C
Boiling point: 86.71 °C
pKa: 11.31
Flash point: 2.8 °C (closed cup)
Water solubility: miscible (20 °C)
logP: 0.37Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor22% of notifiers
H302 Harmful if swallowed99.5% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage13% of notifiers
H332 Harmful if inhaled99.8% of notifiers

Aggregated from 1,650 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

123-75-1

SMILES

C1CCNC1

InChIKey

RWRDLPDLKQPQOW-UHFFFAOYSA-N

InChI

InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2

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Names and synonyms

11 names

Azacyclopentane
Prolamine
Pyrrole, tetrahydro-
Tetrahydropyrrole
Tetramethylenimine
Pyrrolidine ring
Butylenimine
Azolidine
Perhydropyrrole
NSC 62781
9: PN: WO2017048620 SEQID: 14 claimed sequence

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 123-75-1. Each row opens the sheet with its composition and PDF.

Pyrrolidine > 95 %Avocado Research Chemicals Ltd. · 2024-02-12

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Work with Pyrrolidine

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

Piperidine110-89-489 % similar Azepane111-49-989 % similar Azocane1121-92-289 % similar Azetidine503-29-778 % similar 1,4,8,12-Tetraazacyclopentadecane15439-16-470 % similar Cyclam295-37-470 % similar 1,4-Diazacycloheptane505-66-870 % similar Piperidinium chloride6091-44-767 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cyclobutylamine2516-34-9 Cyclopropanemethanamine2516-47-4 3-Buten-1-amine2524-49-4 Methylallylamine627-37-2

Elsewhere

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