Phenylguanidine bicarbonate

C₈H₁₁N₃O₃CAS 6685-76-3197.19 g/mol

Open in Covalent MOL file

Carbonate Guanidine

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 Å²
H-bond donors / acceptors: 5 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed10% of notifiers
H315 Causes skin irritation10% of notifiers
H317 May cause an allergic skin reaction10% of notifiers
H318 Causes serious eye damage10% of notifiers
H319 Causes serious eye irritation10% of notifiers
H335 May cause respiratory irritation10% of notifiers
H411 Toxic to aquatic life with long lasting effects10% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

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.

Sodium bicarbonate144-55-8Salt Sodium carbonate497-19-8Salt Potassium carbonate584-08-7Salt Sodium percarbonate15630-89-4Salt Calcium carbonate471-34-1Salt Magnesium carbonate546-93-0Salt Lithium carbonate554-13-2Salt White lead1319-46-6Salt Basic copper carbonate12069-69-1Salt Hydrotalcite (mg6(CO3)[al(OH)6]2(OH)4.4H2O)12304-65-3Salt Potassium bicarbonate298-14-6Salt Strontium carbonate1633-05-2Salt

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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