(S)-3-Dimethylaminopyrrolidine 2hcl

C6H16Cl2N2CAS 144043-20-9187.11 g/mol

Open in Covalent MOL file
NNHHClHCl
Secondary amineTertiary amine

Properties

Molecular formula
C6H16Cl2N2
Molar mass
187.11 g/mol
Exact mass
186.0691 Da
logP
0.75Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
144043-20-9
SMILES
CN(C)[C@H]1CCNC1.Cl.Cl
InChIKey
LCPKWRSLMCUOOZ-ILKKLZGPSA-N
InChI
InChI=1S/C6H14N2.2ClH/c1-8(2)6-3-4-7-5-6;;/h6-7H,3-5H2,1-2H3;2*1H/t6-;;/m0../s1

Weigh it out

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

Names and synonyms

1 names
  • (3S)-N,N-Dimethylpyrrolidin-3-amine dihydrochloride

Work with (S)-3-Dimethylaminopyrrolidine 2hcl

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.

(3R)-(+)-3-(Dimethylamino)pyrrolidine132958-72-6Free base, enantiomer (3S)-(-)-3-(Dimethylamino)pyrrolidine132883-44-4Free base 3-(Dimethylamino)pyrrolidine69478-75-7Free base, stereo not defined

Similar compounds

4-(Dimethylamino)piperidine dihydrochloride4876-59-975 % similar 3-(Dimethylamino)azetidine dihydrochloride124668-49-167 % similar 3-(Dimethylamino)piperidine50534-49-165 % similar N,N-Dimethylpiperidin-4-amine50533-97-663 % similar 1-Methyl-4-(piperazin-1-yl)piperazine hydrochloride436099-90-047 % similar (3R)-3-Methoxypyrrolidine hydrochloride474707-30-742 % similar 1,4′-Bipiperidine, hydrochloride (1:2)4876-60-242 % similar (S)-3-Methoxy-pyrrolidine hydrochloride685828-16-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-1-methylpiperidine dihydrochloride1193-03-9 N-Methylpiperidin-4-amine dihydrochloride1220039-56-4 3-(Methylamino)piperidine dihydrochloride127294-77-3 3-Amino-N-methylpiperidine dihydrochloride894808-73-2

Elsewhere

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