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Phosphoethanolamine

Phosphoethanolamine structure

CAS No:
1071-23-4
Formula:
C2H8NO4P
Chemical Name:
Phosphoethanolamine
Synonyms:
Ethanol,2-amino-,1-(dihydrogen phosphate);Ethanol,2-amino-,dihydrogen phosphate (ester);Ethanol,2-amino-,phosphate;Phosphoric acid,2-aminoethyl ester;O-Phosphoethanolamine;O-Phosphorylethanolamine;Ethanolamine O-phosphate;Phosphoethanolamine;Phosphonoethanolamine;Phosphorylethanolamine;2-Aminoethyl dihydrogen phosphate;Mono(2-aminoethyl) phosphate;Colamine phosphate;Monoaminoethyl phosphate;2-Aminoethanol O-phosphate;NSC 254167;(2-Aminoethoxy)phosphonic acid;2-Azaniumylethyl hydrogen phosphate;857343-88-5;2194593-73-0;2194593-74-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

O-PHOSPHORYLETHANOLAMINE is white powder ChEBI: 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.

Solid

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-).|Phosphorylethanolamine is a monophosphate ethanolamine ester that is an intermediate in the biosynthesis of sphingomyelins.

Phosphoethanolamine Basic Attributes

Molecular Weight：

141.06

Exact Mass：

141.06

EC Number：

213-988-5

UNII：

78A2BX7AEU

NSC Number：

254167

DSSTox ID：

DTXSID5061453

NCI Thesaurus Code：

C118882

HScode：

29221990

Characteristics

PSA：

92.8

XLogP3：

-4.8

Appearance：

Solid

Density：

1.554±0.06 g/cm3(Predicted)

Melting Point：

233-235 °C

Boiling Point：

335.8±44.0 °C(Predicted)

Flash Point：

156.9ºC

Water Solubility：

72 mg/mL

Storage Conditions：

−20°C

Toxicity：

LD50 orally in Rabbit: 5820 mg/kg

Collision Cross Section：

121.6 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|123 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|123.2 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|123.4 Å² [M-H]-

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

25-34

safety instructions：

26-36/37/39-45-27

RTECS Number：

KJ5830000

Marks：

T,C

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (93.62%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 50 companies from 5 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

calcium 2-aminoethanol phosphate

Phosphoethanolamine Use and Manufacturing

Uses

Phosphorylethanolamine is used in the synthesis of Sphingomyelin, a type of sphingolipid found in animal cell membrane.

Manufacturing Info：

Ethanol, 2-amino-, 1-(dihydrogen phosphate): ACTIVE

Computed Properties

Molecular Weight:141.06
XLogP3:-4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:141.01909473
Monoisotopic Mass:141.01909473
Topological Polar Surface Area:92.8
Heavy Atom Count:8
Complexity:98.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1071-23-4

Grade: Industrial Grade

Content: 99%

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CAS No.: 1071-23-4

Grade: Industrial Grade

Content: 99%

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