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1071-23-4

1071-23-4 structural image
Product Name: O-PHOSPHORYLETHANOLAMINE
Formula: C2H8NO4P
Synonyms: O-Phosphocolamine;O-Phosphoethanolamine;2-Aminoethyl dihydrogen phosphate;Colamine phosphoric acid, Ethanolamine dihydrogen phosphate, 2-Hydroxyethylammonium dihydrogen phosphate, O-Phosphoethanolamine;Colaminephosphoric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 241-243 °C
Solubility 72 mg/mL
Collision Cross Section 121.6 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P310:Immediately call a POISON CENTER or doctor/physician.
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 141.06 g/mol
XLogP3 -4.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 141.01909473 g/mol
Monoisotopic Mass 141.01909473 g/mol
Topological Polar Surface Area 92.8 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 98.2
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

PRODUCT INTRODUCTION

description

O-phosphoethanolamine is the ethanolamine mono-ester of phosphoric acid, and a metabolite of phospholipid metabolism. This phosphomonoester shows strong structural similarity to the inhibitory neurotransmitter GABA, and is decreased in post-mortem Alzheimer's disease brain. It has a role as a human metabolite, an algal metabolite and a mouse metabolite. It is a phosphoethanolamine and a primary amino compound. It is a conjugate acid of an O-phosphonatoethanaminium(1-).

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