Piperazine, phosphate (1:?)

C₄H₁₃N₂O₄PCAS 1951-97-9184.13 g/mol

Open in Covalent MOL file

Phosphate Secondary amine

Properties

Molecular formula: C₄H₁₃N₂O₄P
Molar mass: 184.13 g/mol
Exact mass: 184.0613 Da
logP: -1.75Crippen estimate
Polar surface area: 101.8 Å²
H-bond donors / acceptors: 5 / 3
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P203, P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P405, P501

Identifiers

CAS number

1951-97-9

SMILES

C1CNCCN1.O=P(O)(O)O

InChIKey

NQQWFVUVBGSGQN-UHFFFAOYSA-N

InChI

InChI=1S/C4H10N2.H3O4P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H3,1,2,3,4)

Weigh it out

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

Names and synonyms

1 names

Piperazine, phosphate

Work with Piperazine, phosphate (1:?)

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 Piperazine, phosphate, hydrate (1:1:1)18534-18-4Hydrate Piperazine110-85-0Free base Piperazine citrate144-29-6Salt Piperazine adipate142-88-1Salt Ogen7280-37-7Salt Piperazine hydrochloride142-64-3Salt Niclosamide piperazine salt34892-17-6Salt Piperazine, 2-hydroxy-1,2,3-propanetricarboxylate (3:2), hydrate41372-10-5Salt Piperazine phosphate14538-56-8

Similar compounds

Phosphoric acid7664-38-260 % similar Spermidine phosphate49721-50-856 % similar Ammonium phosphate10361-65-650 % similar Zirconium phosphate (Zr(HPO4)2)13772-29-750 % similar Ammonium dihydrogen phosphate7722-76-150 % similar Diammonium phosphate7783-28-050 % similar Tungsten hydroxide oxide phosphate12067-99-147 % similar Diguanidine phosphate5423-23-445 % similar

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

Elsewhere

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