3,6-Dichloropyridazin-4-amine

C₄H₃Cl₂N₃CAS 823-58-5163.99 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₄H₃Cl₂N₃
Molar mass: 163.99 g/mol
Exact mass: 162.9704 Da
logP: 1.37Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

823-58-5

SMILES

C1=C(C(=NN=C1Cl)Cl)N

InChIKey

HODYDVHWWMTUEL-UHFFFAOYSA-N

InChI

InChI=1S/C4H3Cl2N3/c5-3-1-2(7)4(6)9-8-3/h1H,(H2,7,8)

Weigh it out

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

Work with 3,6-Dichloropyridazin-4-amine

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

3,4,6-Trichloropyridazine6082-66-254 % similar 2,6-Dichloro-3,4-pyridinediamine101079-63-452 % similar 4-Bromo-3,6-dichloropyridazine10344-42-050 % similar 3,6-Dichloro-4-methylpyridazine19064-64-350 % similar 3,6-Dichloro-4-methoxypyridazine70952-62-450 % similar 6-Chloropyridine-3,4-diamine89182-17-246 % similar 2,6-Dichloro-3-pyridylamine62476-56-645 % similar 3-Amino-2,5-dichloropyridine78607-32-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloro-4-pyrimidinamine10132-07-7 5,6-Dichloropyrimidin-4-amine310400-38-5 4,5-Dichloropyrimidin-2-amine403854-21-7 2,4-Dichloro-5-aminopyrimidine5177-27-5 3,5-Dichloro-1,4-dihydropyridazin-4-imine53180-76-0 5-Amino-4,6-dichloropyrimidine5413-85-4 4,6-Dichloro-2-pyrimidinamine56-05-3 2-Amino-3,5-dichloropyrazine873-42-7

Elsewhere

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