2-(Piperazin-1-yl)-acetic acid H2O

C₆H₁₂N₂O₂CAS 37478-58-3144.17 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine Tertiary amine

Properties

Molecular formula: C₆H₁₂N₂O₂
Molar mass: 144.17 g/mol
Exact mass: 144.0899 Da
logP: -1.02Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

37478-58-3

SMILES

C1CN(CCN1)CC(=O)O

InChIKey

WRJZKSHNBALIGH-UHFFFAOYSA-N

InChI

InChI=1S/C6H12N2O2/c9-6(10)5-8-3-1-7-2-4-8/h7H,1-5H2,(H,9,10)

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

Names and synonyms

1 names

Piperazin-1-yl-acetic acid

Work with 2-(Piperazin-1-yl)-acetic acid H2O

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

Dota (chelator)60239-18-170 % similar 3-Piperazin-1-yl-propionic acid27245-31-467 % similar Pentetic acid67-43-667 % similar Triethylenetetraminehexaacetic acid869-52-367 % similar Ethylenediaminetetraacetic acid60-00-463 % similar Piperidin-1-yl-acetic acid3235-67-462 % similar Nitrilotriacetic acid139-13-961 % similar Bicine150-25-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl piperazine-1-carboxylate50606-31-0 N1,N2-Diethylethanediamide615-84-9 Adipamide628-94-4 N,N'-Diacetylethylenediamine871-78-3

Elsewhere

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