(4-Methyl-piperazin-1-yl)-acetic acid

C₇H₁₄N₂O₂CAS 54699-92-2158.20 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₇H₁₄N₂O₂
Molar mass: 158.20 g/mol
Exact mass: 158.1055 Da
logP: -0.68Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H318 Causes serious eye damage100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number

54699-92-2

SMILES

CN1CCN(CC1)CC(=O)O

InChIKey

JCXZKUZXVQKENT-UHFFFAOYSA-N

InChI

InChI=1S/C7H14N2O2/c1-8-2-4-9(5-3-8)6-7(10)11/h2-6H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

(4-Methylpiperazin-1-yl)acetic acid

Work with (4-Methyl-piperazin-1-yl)-acetic acid

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)60239-18-174 % similar Pentetic acid67-43-671 % similar Triethylenetetraminehexaacetic acid869-52-371 % similar Ethylenediaminetetraacetic acid60-00-467 % similar Methyliminodiacetic acid4408-64-464 % similar Diammonium EDTA20824-56-059 % similar Piperidin-1-yl-acetic acid3235-67-459 % similar [4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid124335-65-559 % similar

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

Same formula

Ethyl 1-piperazinecarboxylate120-43-4 3-Piperazin-1-yl-propionic acid27245-31-4

Elsewhere

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