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96760-69-9

96760-69-9 structural image
Product Name: ADENOSINE AMINE CONGENER (ADAC)
Formula: C28H32N8O6
Synonyms: ADAC;N6-[4-[[[4-[[[(2-Aminoethyl)amino]carbonyl]methyl]-anilino]carbonyl]methyl]phenyl]adenosine hydrate
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 576.6 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 11
Exact Mass 576.24448077 g/mol
Monoisotopic Mass 576.24448077 g/mol
Topological Polar Surface Area 210 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 887
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes