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72040-64-3

72040-64-3 structural image
Product Name: (+)-BIOTIN-EPSILON-AMINOCAPROIC ACID
Formula: C16H27N3O4S
Synonyms: (+)-Biotin-ε-aminocaproic acid;6-((Biotinoyl)amino)hexanoic acid;Biotin-X;N-(+)-Biotinyl-6-aminocaproic acid
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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.
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 357.5 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 11
Exact Mass 357.17222752 g/mol
Monoisotopic Mass 357.17222752 g/mol
Topological Polar Surface Area 133 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 461
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes