2,4-Diaminoanisole dihydrochloride

C₇H₁₂Cl₂N₂OCAS 614-94-8211.09 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₇H₁₂Cl₂N₂O
Molar mass: 211.09 g/mol
Exact mass: 210.0327 Da
Water solubility: soluble
logP: 1.70Crippen estimate
Polar surface area: 61.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H332 Harmful if inhaled11.1% of notifiers
H350 May cause cancer88.9% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

614-94-8

SMILES

COc1ccc(N)cc1N.Cl.Cl

InChIKey

FNGHHDCBSVSOOI-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O.2ClH/c1-10-7-3-2-5(8)4-6(7)9;;/h2-4H,8-9H2,1H3;2*1H

Weigh it out

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

Names and synonyms

3 names

1,3-Benzenediamine, 4-methoxy-, hydrochloride (1:2)
m-Phenylenediamine, 4-methoxy-, dihydrochloride
1,3-Benzenediamine, 4-methoxy-, dihydrochloride

Work with 2,4-Diaminoanisole dihydrochloride

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.

2,4-Diaminoanisole615-05-4Free base 2,4-Diaminoanisole sulfate39156-41-7Salt 1,3-Benzenediamine, 4-methoxy-, sulfate, hydrate (1:1:?)123333-56-2Salt

Similar compounds

3,4-Dimethoxyaniline6315-89-570 % similar 2-Methoxy-5-chloroaniline hydrochloride4274-03-763 % similar 1,3-Bis(2,4-diaminophenoxy)propane tetrahydrochloride74918-21-161 % similar 6-Methoxy-[1,1'-biphenyl]-3-amine hydrochloride92028-21-260 % similar 1,2,4-Triaminobenzene dihydrochloride615-47-457 % similar 2,5-Dimethoxyaniline102-56-757 % similar 2-Anisidine hydrochloride134-29-257 % similar 5-Amino-2-methoxyphenol1687-53-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-6-methoxy-2-picoline hcl320577-63-7 4-Methoxybenzene-1,2-diamine dihydrochloride59548-39-9 Alpha-Hydrazino-m-cresol dihydrochloride81012-99-9

Elsewhere

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