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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)
GHS06
Skull and Crossbones
Acute Toxicity
GHS06
GHS08
Health Hazard
GHS08
GHS09
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.