(S)-3-Aminopiperidine dihydrochloride

C₅H₁₄Cl₂N₂CAS 334618-07-4173.08 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₅H₁₄Cl₂N₂
Molar mass: 173.08 g/mol
Exact mass: 172.0534 Da
logP: 0.54Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

334618-07-4

SMILES

C1C[C@@H](CNC1)N.Cl.Cl

InChIKey

GGPNYXIOFZLNKW-XRIGFGBMSA-N

InChI

InChI=1S/C5H12N2.2ClH/c6-5-2-1-3-7-4-5;;/h5,7H,1-4,6H2;2*1H/t5-;;/m0../s1

Weigh it out

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

Names and synonyms

1 names

(3S)-Piperidin-3-amine dihydrochloride

Work with (S)-3-Aminopiperidine 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.

(3R)-Piperidin-3-amine127294-73-9Free base, enantiomer (S)-Piperidin-3-amine80918-66-7Free base 3-Aminopiperidine54012-73-6Free base, stereo not defined (R)-(-)-3-Aminopiperidine dihydrochloride334618-23-4Enantiomer Piperidin-3-amine dihydrochloride138060-07-8Stereo not defined

Similar compounds

3-Aminopyrrolidine dihydrochloride103831-11-474 % similar (R)-3-Aminopyrrolidine dihydrochloride116183-81-474 % similar (S)-3-Aminopyrrolidine dihydrochloride116183-83-674 % similar (+/-)-3-Amino-homopiperidine69154-03-674 % similar (R)-3-Aminopyrrolidine116183-82-561 % similar (-)-3-Aminopyrrolidine128345-57-361 % similar 3-Aminopyrrolidine79286-79-661 % similar Cyclobutylammonium chloride6291-01-652 % similar

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

Same formula

3-(Dimethylamino)azetidine dihydrochloride124668-49-1 1-Methylpiperazine dihydrochloride34352-59-5 4-Aminopiperidine dihydrochloride35621-01-3

Elsewhere

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