Octahydrocyclopenta[c]pyrrole hydrochloride

C7H14ClNCAS 112626-50-3147.65 g/mol

Open in Covalent MOL file
NHHCl
Secondary amine

Properties

Molecular formula
C7H14ClN
Molar mass
147.65 g/mol
Exact mass
147.0815 Da
logP
1.43Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
112626-50-3
SMILES
C1CC2CNCC2C1.Cl
InChIKey
HVZRRRPCVOJOLJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H13N.ClH/c1-2-6-4-8-5-7(6)3-1;/h6-8H,1-5H2;1H

Weigh it out

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

Names and synonyms

3 names
  • Cyclopenta[C]pyrrole, octahydro-, hydrochloride (1:1)
  • Cyclopenta[c]pyrrole, octahydro-, hydrochloride
  • 3-Azabicyclo[3.3.0]octane hydrochloride

Work with Octahydrocyclopenta[c]pyrrole hydrochloride

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

Rel-(3aR,7aS)-Octahydro-1H-isoindole1470-99-171 % similar Octahydroisoindole21850-12-471 % similar 3-Azabicyclo[3.1.0]hexane hydrochloride73799-64-158 % similar Decahydroisoquinoline6329-61-950 % similar (4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-40-044 % similar (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-42-244 % similar 4,4′-Dipiperidine dihydrochloride78619-84-843 % similar 3-Hydroxyazetidine hydrochloride18621-18-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Chloroethyl)piperidine1932-03-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook