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21539-53-7

21539-53-7 structural image
Product Name: 3-(TERT-BUTYLAMINO)PROPIONITRILE
Formula: C7H14N2
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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.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 126.20 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 126.115698455 g/mol
Monoisotopic Mass 126.115698455 g/mol
Topological Polar Surface Area 35.8 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 113
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 1
Compound Is Canonicalized Yes