Piperazine adipate

C₁₀H₂₀N₂O₄CAS 142-88-1232.28 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₄
Molar mass: 232.28 g/mol
Exact mass: 232.1423 Da
Melting point: 256–257 °C
Water solubility: 10–50 g/L (17.2 °C)
logP: -0.10Crippen estimate
Polar surface area: 98.7 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 5

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation25% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation25% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled50% of notifiers
H335 May cause respiratory irritation25% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, P501

Identifiers

CAS number

142-88-1

SMILES

C1CNCCN1.O=C(O)CCCCC(=O)O

InChIKey

BVEGEKOBSPXUJS-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O4.C4H10N2/c7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2

Weigh it out

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

Names and synonyms

22 names · show all

Hexanedioic acid, compd. with piperazine (1:1)
Adipic acid, compd. with piperazine (1:1)
Piperazine, adipate (1:1)
Piperazine, hexanedioate (1:1)
Adiprazine
Arduvermin
Dietelmin
Entacyl
Helmirazin
Oxurasin
Oxyzin
Piperascat
Piperaskat
Vermicompren
Piperazine adipinate
Nometan
Vermilass
Oxypaat
Pipadox
Adiprazina
Piperazinium adipate
NSC 74383

Work with Piperazine adipate

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.

Arpezine142-63-2Hydrate Adipic acid124-04-9Free acid Piperazine110-85-0Free base Ammonium adipate3385-41-9Salt Piperazine citrate144-29-6Salt Ogen7280-37-7Salt Piperazine hydrochloride142-64-3Salt Piperazine phosphate14538-56-8Salt Serotonin adipate16031-83-7Salt Spiramycin adipate68880-55-7Salt Piperazine, phosphate (1:?)1951-97-9Salt Ammonium adipate19090-60-9Salt

Similar compounds

Pimelic acid111-16-070 % similar Sebacic acid111-20-670 % similar Azelaic acid123-99-970 % similar Pentadecanedioic acid1460-18-070 % similar Undecanedioic acid1852-04-670 % similar Heptadecanedioic acid2424-90-070 % similar Eicosanedioic acid2424-92-270 % similar Suberic acid505-48-670 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-8 Boc-orn-oh21887-64-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook