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13590-98-2

13590-98-2 structural image
Product Name: Proguanil Related Compound C (25 mg) (1,5-bis(4-chlorophenyl)biguanide hydrochloride)
Formula: C14H14Cl3N5
Synonyms: N,N′-Bis(4-chlorophenyl)imidodicarbonimidic diamide monohydrochloride;1,5-Bis(4-chlorophenyl)biguanide monohydrochloride monohydrochloride
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 358.6 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 4
Exact Mass 357.031479 g/mol
Monoisotopic Mass 357.031479 g/mol
Topological Polar Surface Area 88.8 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 383
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes