3-Pyrroline

C₄H₇NCAS 109-96-669.11 g/mol

Open in Covalent MOL file

Alkene Secondary amine

Properties

Molecular formula: C₄H₇N
Molar mass: 69.11 g/mol
Exact mass: 69.0578 Da
Boiling point: 90.5 °C
logP: 0.15Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor97.9% of notifiers
H302 Harmful if swallowed95.7% of notifiers
H314 Causes severe skin burns and eye damage97.9% of notifiers
H332 Harmful if inhaled95.7% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, 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

109-96-6

SMILES

C1=CCNC1

InChIKey

JVQIKJMSUIMUDI-UHFFFAOYSA-N

InChI

InChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1H-Pyrrole, 2,5-dihydro-
2,5-Dihydro-1H-pyrrole
2,5-Dihydropyrrole
δ3-Pyrroline
3-Pyrolline
NSC 89295

Reactions

3-PYRROLINE (1H-Pyrrole, 2,5-dihydro-)product

Work with 3-Pyrroline

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,5-Dihydro-1H-pyrrole hydrochloride63468-63-3Salt

Similar compounds

1,2,3,6-Tetrahydropyridine694-05-353 % similar 1,2,3,6-Tetrahydropyridine hydrochloride18513-79-644 % similar Diallylamine124-02-740 % similar Diallylammonium chloride6147-66-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Butyronitrile109-74-0 Isobutyronitrile78-82-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook