chempirical

Phenylguanidine bicarbonate

C8H11N3O3CAS 6685-76-3197.19 g/mol

Open in Covalent MOL file
NHH2NHNOHOOH
CarbonateGuanidine

Properties

Molecular formula
C8H11N3O3
Molar mass
197.19 g/mol
Exact mass
197.0800 Da
Melting point
220 °C (decomposes)
logP
1.21Crippen estimate
Polar surface area
119.4 Ų
H-bond donors / acceptors
5 / 2
Rotatable bonds
1

Identifiers

CAS number
6685-76-3
SMILES
N=C(N)Nc1ccccc1.O=C(O)O
InChIKey
XDSYAIICRRZSJX-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3.CH2O3/c8-7(9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,8,9,10);(H2,2,3,4)

Weigh it out

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

Names and synonyms

6 names
  • Carbonic acid, compd. with N-phenylguanidine (1:1)
  • Carbonic acid, compd. with phenylguanidine (1:1)
  • Guanidine, phenyl-, carbonate (1:1)
  • Phenylguanidine hydrogen carbonate
  • N-Phenylguanidinium carbonate
  • 1-Phenylguanidine carbonate

Work with Phenylguanidine bicarbonate

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

Phenylbiguanide102-02-353 % similar 4-Guanidinobenzoic acid hydrochloride42823-46-153 % similar Phenylurea64-10-852 % similar N-(4-Cyanophenyl)guanidine5637-42-347 % similar Diphenylguanidine102-06-742 % similar Oxanilide620-81-542 % similar 1-Phenylsemicarbazide103-03-741 % similar N-Phenylglycine103-01-539 % similar

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

Same formula

Hc red 724905-87-1 N-Acetyl-L-histidine2497-02-1 Hc red 32871-01-4 Hc yellow 556932-44-6

Elsewhere

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