N,N-Dimethyl-2-(piperazin-1-yl)acetamide

C₈H₁₇N₃OCAS 39890-43-2171.24 g/mol

Open in Covalent MOL file

Amide Secondary amine Tertiary amine

Properties

Molecular formula: C₈H₁₇N₃O
Molar mass: 171.24 g/mol
Exact mass: 171.1372 Da
logP: -1.02Crippen estimate
Polar surface area: 35.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

39890-43-2

SMILES

CN(C)C(=O)CN1CCNCC1

InChIKey

JJEMPZXXGBIJIX-UHFFFAOYSA-N

InChI

InChI=1S/C8H17N3O/c1-10(2)8(12)7-11-5-3-9-4-6-11/h9H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

N,N-Dimethyl-2-piperazin-1-yl-acetamide

Work with N,N-Dimethyl-2-(piperazin-1-yl)acetamide

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

1-((Pyrrolidine-1-carbonyl)methyl)piperazine39890-45-460 % similar 4-(1-Piperazinylacetyl)morpholine39890-46-555 % similar 2-(Piperazin-1-yl)-acetic acid H2O37478-58-348 % similar Piperazine-1-carboxylic acid dimethylamide41340-78-748 % similar Ethyl piperazine-1-acetate40004-08-846 % similar 1-Methylpiperazin-2-one59702-07-744 % similar 2-Chloro-N,N-dimethylacetamide2675-89-041 % similar N,N-Dimethylpropionamide758-96-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook