(2S)-Piperazine-2-carboxylic acid dihydrochloride

C₅H₁₂Cl₂N₂O₂CAS 158663-69-5203.06 g/mol

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Carboxylic acid Secondary amine

Properties

Molecular formula: C₅H₁₂Cl₂N₂O₂
Molar mass: 203.06 g/mol
Exact mass: 202.0276 Da
logP: -0.52Crippen estimate
Polar surface area: 61.4 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1
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 48 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

158663-69-5

SMILES

C1CN[C@@H](CN1)C(=O)O.Cl.Cl

InChIKey

WNSDZBQLMGKPQS-FHNDMYTFSA-N

InChI

InChI=1S/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H/t4-;;/m0../s1

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Names and synonyms

1 names

(S)-Piperazine-2-carboxylic acid dihydrochloride

Work with (2S)-Piperazine-2-carboxylic acid 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.

(S)-Piperazine-2-carboxylic acid147650-70-2Free base (R)-Piperazine-2-carboxylic acid31321-68-3Free base, enantiomer (R)-2-Piperazinecarboxylic acid dihydrochloride126330-90-3Enantiomer Piperazine-2-carboxylic acid dihydrochloride3022-15-9Stereo not defined

Similar compounds

Azetidine-2-carboxylic acid2133-34-853 % similar (±)-2-Azetidinecarboxylic acid2517-04-653 % similar D-Azetidine-2-carboxylic acid7729-30-853 % similar (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride142347-81-753 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride77449-94-653 % similar EDDS20846-91-752 % similar Proline147-85-350 % similar D-Proline344-25-250 % similar

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

Elsewhere

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