Piperazine, phosphate, hydrate (1:1:1)

C₄H₁₅N₂O₅PCAS 18534-18-4202.15 g/mol

Open in Covalent MOL file

Phosphate Secondary amine

Properties

Molecular formula: C₄H₁₅N₂O₅P
Molar mass: 202.15 g/mol
Exact mass: 202.0719 Da
logP: -2.57Crippen estimate
Polar surface area: 133.3 Å²
H-bond donors / acceptors: 5 / 3
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritationSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaledSensitization, respiratory
H361fd Suspected of damaging fertility; Suspected of damaging the unborn childReproductive toxicity
H370 Causes damage to organsSpecific target organ toxicity, single exposure
H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure

Hazardous Chemical Information System (HCIS), Safe Work Australia, via PubChem.

Precautionary statements

P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P405, P501

Identifiers

CAS number

18534-18-4

SMILES

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

InChIKey

PMGABIJVFLPSLS-UHFFFAOYSA-N

InChI

InChI=1S/C4H10N2.H3O4P.H2O/c1-2-6-4-3-5-1;1-5(2,3)4;/h5-6H,1-4H2;(H3,1,2,3,4);1H2

Weigh it out

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

Names and synonyms

1 names

Piperazine, phosphate (1:1), monohydrate

Work with Piperazine, phosphate, hydrate (1:1:1)

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 phosphate14538-56-8Anhydrous Piperazine, phosphate (1:?)1951-97-9Anhydrous 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

Similar compounds

Spermidine phosphate49721-50-856 % similar Phosphoric acid7664-38-250 % similar Hydrogen phosphotungstate hydrate (H3PW12O40.xH2O)12501-23-444 % similar Molybdophosphoric acid (H3Mo12PO40) hydrate51429-74-444 % similar Monocalcium phosphate monohydrate10031-30-843 % similar Ammonium phosphate10361-65-643 % similar Zirconium phosphate (Zr(HPO4)2)13772-29-743 % similar Ammonium dihydrogen phosphate7722-76-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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