chempirical

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

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

Similar compounds

(R)-3-Aminopyrrolidine116183-82-584 % similar (-)-3-Aminopyrrolidine128345-57-384 % similar (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-474 % similar 4-Aminopiperidine dihydrochloride35621-01-371 % similar (3R)-Piperidin-3-amine127294-73-961 % similar 4-Piperidinamine13035-19-357 % similar 3-Aminoazetidine102065-86-148 % similar (R)-(-)-3-Pyrrolidinol hydrochloride104706-47-046 % similar

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

Same formula

(R)-3-Aminopyrrolidine dihydrochloride116183-81-4 (S)-3-Aminopyrrolidine dihydrochloride116183-83-6 Hexahydropyridazine dihydrochloride124072-89-5 Piperazine hydrochloride142-64-3

Elsewhere

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