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26046-90-2

26046-90-2 structural image
Product Name: Se-Methylselenocysteine
Formula: C4H9NO2Se
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H373:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P260:Do not breathe 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.
P273:Avoid release to the environment.
P314:Get medical advice/attention if you feel unwell.
P391:Collect spillage. Hazardous to the aquatic environment
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 182.09 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 182.97985 g/mol
Monoisotopic Mass 182.97985 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 86.1
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

Se-methyl-L-selenocysteine is an L-alpha-amino acid compound having methylselanylmethyl as the side-chain. It has a role as an antineoplastic agent. It is a Se-methylselenocysteine, a non-proteinogenic L-alpha-amino acid and a L-selenocysteine derivative. It is a conjugate base of a Se-methyl-L-selenocysteinium. It is a conjugate acid of a Se-methyl-L-selenocysteinate. It is an enantiomer of a Se-methyl-D-selenocysteine. It is a tautomer of a Se-methyl-L-selenocysteine zwitterion.