Diguanidine phosphate

CH₈N₃O₄PCAS 5423-23-4157.07 g/mol

Open in Covalent MOL file

Guanidine Phosphate

Properties

Molecular formula: CH₈N₃O₄P
Molar mass: 157.07 g/mol
Exact mass: 157.0252 Da
logP: -2.09Crippen estimate
Polar surface area: 153.7 Å²
H-bond donors / acceptors: 6 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed96.8% of notifiers
H315 Causes skin irritation72.6% of notifiers
H319 Causes serious eye irritation72.6% of notifiers
H332 Harmful if inhaled72.6% of notifiers

Aggregated from 62 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, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

5423-23-4

SMILES

N=C(N)N.O=P(O)(O)O

InChIKey

CEDDGDWODCGBFQ-UHFFFAOYSA-N

InChI

InChI=1S/CH5N3.H3O4P/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4)

Weigh it out

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

Names and synonyms

5 names

Guanidine, phosphate (2:1)
Phosphoric acid diguanidinium salt
Guanidinium monohydrogen phosphate
Fran S 400
Diguanidinium hydrogen phosphate

Work with Diguanidine phosphate

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.

Guanidine nitrate506-93-4Salt Guanidinium chloride50-01-1Salt Diguanidinium carbonate593-85-1Salt Guanidine sulfamate51528-20-2Salt Carbamidinium sulfate1184-68-5Salt Guanidinium sulfate594-14-9Salt Guanidinium acetate593-87-3Salt

Similar compounds

Urea phosphoric acid4861-19-257 % similar Phosphoric acid7664-38-253 % similar Piperazine phosphate14538-56-845 % similar Piperazine, phosphate (1:?)1951-97-945 % similar Ammonium phosphate10361-65-645 % similar Zirconium phosphate (Zr(HPO4)2)13772-29-745 % similar Ammonium dihydrogen phosphate7722-76-145 % similar Diammonium phosphate7783-28-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook