212141-51-0
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 |
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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 |