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123314-39-6

123314-39-6 structural image
Product Name: H-CIT-AMC HBR
Formula: C16H21BrN4O4
Synonyms: L-Citrulline 4-methyl-7-coumarinylamide hydrobromide
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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 P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
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 413.27 g/mol
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 412.07462 g/mol
Monoisotopic Mass 412.07462 g/mol
Topological Polar Surface Area 137 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 534
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes