3-Aminopyrrolidine dihydrochloride

C4H12Cl2N2CAS 103831-11-4159.05 g/mol

Open in Covalent MOL file
HClHClH2NNH
Primary amineSecondary amine

Properties

Molecular formula
C4H12Cl2N2
Molar mass
159.05 g/mol
Exact mass
158.0378 Da
logP
0.15Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
103831-11-4
SMILES
Cl.Cl.NC1CCNC1
InChIKey
NJPNCMOUEXEGBL-UHFFFAOYSA-N
InChI
InChI=1S/C4H10N2.2ClH/c5-4-1-2-6-3-4;;/h4,6H,1-3,5H2;2*1H

Weigh it out

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

Names and synonyms

2 names
  • 3-Pyrrolidinamine, hydrochloride (1:2)
  • 3-Pyrrolidinamine, dihydrochloride

Work with 3-Aminopyrrolidine dihydrochloride

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-Aminopyrrolidine128345-57-3Free base, defined stereoisomer (R)-3-Aminopyrrolidine116183-82-5Free base, defined stereoisomer 3-Aminopyrrolidine79286-79-6Free base (R)-3-Aminopyrrolidine dihydrochloride116183-81-4Defined stereoisomer (S)-3-Aminopyrrolidine dihydrochloride116183-83-6Defined stereoisomer

Similar compounds

Piperidin-3-amine dihydrochloride138060-07-874 % similar (S)-3-Aminopiperidine dihydrochloride334618-07-474 % similar (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-474 % similar 4-Aminopiperidine dihydrochloride35621-01-371 % similar (3R)-Piperidin-3-amine127294-73-961 % similar 3-Aminopiperidine54012-73-661 % similar (S)-Piperidin-3-amine80918-66-761 % similar (+/-)-3-Amino-homopiperidine69154-03-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hexahydropyridazine dihydrochloride124072-89-5 Piperazine hydrochloride142-64-3

Elsewhere

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