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21416-43-3

21416-43-3 structural image
Product Name: S(-)-ALPHA-AMINO-3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINEPROPANOIC ACID
Formula: C7H9N3O4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H332:Acute toxicity,inhalation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P330:Rinse mouth.
P363:Wash contaminated clothing before reuse.
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.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 199.16 g/mol
XLogP3 -4.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 199.05930578 g/mol
Monoisotopic Mass 199.05930578 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 312
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 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3-(uracil-1-yl)-L-alanine is the 3-(uracil-1-yl) derivative of L-alanine. It is a non-proteinogenic L-alpha-amino acid and a L-alanine derivative. It is functionally related to a uracil. It is a tautomer of a 3-(uracil-1-yl)-L-alanine zwitterion.