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

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

Similar compounds

Piperazine phosphate14538-56-883 % similar Piperazine, phosphate (1:?)1951-97-983 % similar Spermidine phosphate49721-50-856 % similar Arpezine142-63-250 % similar Phosphoric acid7664-38-250 % similar Hydrogen phosphotungstate hydrate (H3PW12O40.xH2O)12501-23-444 % similar Molybdophosphoric acid (H3Mo12PO40) hydrate51429-74-444 % similar Ammonium phosphate10361-65-643 % similar

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

Elsewhere

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