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212141-51-0

212141-51-0 structural image
Product Name: Vatalanib Dihydrochloride
Formula: C20H17Cl3N4
Synonyms: 1-(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine dihydrochloride;N-(4-Chloroanilino)-4-(pyridin-4-ylmethyl)phthalazin-1-amine dihydrochloride;
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 419.7 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 418.051880 g/mol
Monoisotopic Mass 418.051880 g/mol
Topological Polar Surface Area 50.7 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 407
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes