Dianol

C₆H₁₀Cl₂N₂OCAS 137-09-7197.06 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₆H₁₀Cl₂N₂O
Molar mass: 197.06 g/mol
Exact mass: 196.0170 Da
Melting point: 205 °C
Water solubility: 275 g/L
logP: 1.40Crippen estimate
Polar surface area: 72.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed96.1% of notifiers
H315 Causes skin irritation94.1% of notifiers
H317 May cause an allergic skin reaction13.7% of notifiers
H319 Causes serious eye irritation94.1% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled13.7% of notifiers
H335 May cause respiratory irritation94.1% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

137-09-7

SMILES

Cl.Cl.Nc1ccc(O)c(N)c1

InChIKey

KQEIJFWAXDQUPR-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O.2ClH/c7-4-1-2-6(9)5(8)3-4;;/h1-3,9H,7-8H2;2*1H

Weigh it out

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

Names and synonyms

8 names

Phenol, 2,4-diamino-, hydrochloride (1:2)
Phenol, 2,4-diamino-, dihydrochloride
Amidol
Acrol
Diamidophenol hydrochloride
2,4-Diaminophenol dihydrochloride
2,4-Diaminophenol hydrochloride
Amidol dihydrochloride

Work with Dianol

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.

Phenol, 2,4-diamino-, sulfate (1:?)74283-34-4Salt

Similar compounds

1,2,4-Triaminobenzene dihydrochloride615-47-462 % similar Phenol, 2,2′-methylenebis[4-amino-, hydrochloride (1:2)27311-52-060 % similar 4,6-Diaminoresorcinol dihydrochloride16523-31-258 % similar o-Aminophenol hydrochloride51-19-454 % similar 3-Amino-4-hydroxybenzoic acid hydrochloride1571-65-951 % similar 4-Amino-2-bromophenol16750-67-750 % similar 5-Amino-2-hydroxytoluene2635-95-250 % similar 4-Amino-2-methylphenol2835-96-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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