3-(Dimethylamino)azetidine dihydrochloride

C₅H₁₄Cl₂N₂CAS 124668-49-1173.08 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₅H₁₄Cl₂N₂
Molar mass: 173.08 g/mol
Exact mass: 172.0534 Da
logP: 0.36Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

124668-49-1

SMILES

CN(C)C1CNC1.Cl.Cl

InChIKey

DHXXDTCOJUYKOQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H12N2.2ClH/c1-7(2)5-3-6-4-5;;/h5-6H,3-4H2,1-2H3;2*1H

Weigh it out

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

Names and synonyms

3 names

3-Azetidinamine, N,N-dimethyl-, hydrochloride (1:2)
3-Azetidinamine, N,N-dimethyl-, dihydrochloride
N,N-Dimethylazetidin-3-amine dihydrochloride

Work with 3-(Dimethylamino)azetidine 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

(S)-3-Dimethylaminopyrrolidine 2hcl144043-20-967 % similar 4-(Dimethylamino)piperidine dihydrochloride4876-59-958 % similar (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-454 % similar (3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-654 % similar 3-(Dimethylamino)pyrrolidine69478-75-754 % similar 3-(Dimethylamino)piperidine50534-49-150 % similar N,N-Dimethylpiperidin-4-amine50533-97-646 % similar 3-Azabicyclo[3.1.0]hexane hydrochloride73799-64-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Piperidin-3-amine dihydrochloride138060-07-8 (S)-3-Aminopiperidine dihydrochloride334618-07-4 (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-4 1-Methylpiperazine dihydrochloride34352-59-5 4-Aminopiperidine dihydrochloride35621-01-3

Elsewhere

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