3-Amino-6-chloro-4,5-dimethylpyridazine

C₆H₈ClN₃CAS 76593-36-7157.60 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₈ClN₃
Molar mass: 157.60 g/mol
Exact mass: 157.0407 Da
logP: 1.33Crippen 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 irritation100% 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

76593-36-7

SMILES

CC1=C(C(=NN=C1N)Cl)C

InChIKey

NYQKWJMDQIXMEE-UHFFFAOYSA-N

InChI

InChI=1S/C6H8ClN3/c1-3-4(2)6(8)10-9-5(3)7/h1-2H3,(H2,8,10)

Weigh it out

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

Work with 3-Amino-6-chloro-4,5-dimethylpyridazine

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

3,6-Dichloro-4,5-dimethylpyridazine34584-69-567 % similar 6-Chloro-5-methylpyrimidin-4-amine14394-56-047 % similar 2,4,6-Trichloro-5-methylpyrimidine1780-36-541 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-636 % similar 3,5-Dichloro-4-methylpyridin-2-amine31430-47-435 % similar 2-Amino-3-chloropyrazine6863-73-634 % similar 2,4-Dichloro-5-amino-6-methylpyrimidine13162-27-133 % similar 2,3,5,6-Tetramethyl-1,4-phenylenediamine3102-87-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-5-chloro-2,6-dimethylpyrimidine2858-20-0 Pyridine-2-carboximidamide hydrochloride51285-26-8 Nicotinamidine hydrochloride7356-60-7

Elsewhere

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