3-Aminopyrrolidine

C4H10N2CAS 79286-79-686.14 g/mol

Open in Covalent MOL file
NHH2N
Primary amineSecondary amine

Properties

Molecular formula
C4H10N2
Molar mass
86.14 g/mol
Exact mass
86.0844 Da
logP
-0.69Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
79286-79-6
SMILES
C1CNCC1N
InChIKey
NGXSWUFDCSEIOO-UHFFFAOYSA-N
InChI
InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2

Weigh it out

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

Work with 3-Aminopyrrolidine

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 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.

(-)-3-Aminopyrrolidine128345-57-3Defined stereoisomer (R)-3-Aminopyrrolidine116183-82-5Defined stereoisomer (R)-3-Aminopyrrolidine dihydrochloride116183-81-4Salt, defined stereoisomer (S)-3-Aminopyrrolidine dihydrochloride116183-83-6Salt, defined stereoisomer 3-Aminopyrrolidine dihydrochloride103831-11-4Salt

Similar compounds

(3R)-Piperidin-3-amine127294-73-970 % similar 3-Aminopiperidine54012-73-670 % similar (S)-Piperidin-3-amine80918-66-770 % similar 4-Piperidinamine13035-19-367 % similar (+/-)-3-Amino-homopiperidine69154-03-667 % similar Piperidin-3-amine dihydrochloride138060-07-861 % similar (S)-3-Aminopiperidine dihydrochloride334618-07-461 % similar (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-461 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Piperazine110-85-0 1-Aminopyrrolidine16596-41-1 Azoethane821-14-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook