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67776-06-1

67776-06-1 structural image
Product Name: 2-acetamido-3-methyl-3-(nitrososulfanyl)butanoic acid
Formula: C7H12N2O4S
Synonyms: N-Acetyl-3-(nitrosothio)-DL-valine;SNAP;S-Nitroso-N-acetylpenicillamine
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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.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 220.25 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 220.05177804 g/mol
Monoisotopic Mass 220.05177804 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 254
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

A sulfur-containing alkyl thionitrite that is one of the NITRIC OXIDE DONORS.

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