Phosphoethanolamine

HCID 1015CAS 1071-23-4
Substructure searchFind similar structures

Basic information

Standard SMILES
NCCOP(=O)(O)O
InChIKey
SUHOOTKUPISOBE-UHFFFAOYSA-N
Molecular formula
C2H8NO4P
Average molar mass
141.06 g/mol
Monoisotopic mass
141.01909473

Names & identifiers

Preferred name
Phosphoethanolamine
IUPAC
2-aminoethyl dihydrogen phosphate
English name
O-Phosphorylethanolamine
Molecular formula
C2H8NO4P
Molecular weight
141.06

Names & synonyms

O-Phosphorylethanolamine2-Aminoethyl dihydrogen phosphate1071-23-4O-PhosphoethanolaminePhosphorylethanolaminephosphoethanolamineColamine phosphateethanolamine phosphateEthanolamine O-phosphatePhosphonoethanolaminePhosphorylcolamineMono(2-aminoethyl) phosphate
Show more names
PHOSPHORYL COLAMINEPe 104NSC 254167NSC 25416)PHOSPHOCOLAMINEFosforilcolamine
COLAMINE PHOSPHORIC ACIDColaminphosphoric acid(2-aminoethoxy)phosphonic acidmonoaminoethyl phosphate2-amino-ethanol phosphateEthanolamine acid phosphateEthanol, 2-amino-, dihydrogen phosphate (ester)phosphoryl-ethanolamine

Database identifiers

CAS
1071-23-4
PubChem CID
1015
DTXSID
DTXSID5061453
ChEMBL
CHEMBL146972
ChEBI
CHEBI:17553
UNII
78A2BX7AEU
EC Number
213-988-5
Nikkaji
J12.176B

Properties

Computed structural properties

XLogP
-4.8
Topological polar surface area
92.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
8

Experimental & physicochemical properties

Solubility72 mg/mL
Melting Point · 2 items

241-243 °C

241 - 243 °C

Physical DescriptionSolid
Collision Cross Section · 3 items

121.6 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

123 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；123.2 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

123.4 Ų [M-H]-

Physicochemical properties

Melting point
241 · 241-243 °C(lit.)
Boiling point
335.8 · 335.8±44.0 °C(Predicted)
Density
1.554 · 1.554±0.06 g/cm3(Predicted)
storage temp.
30 °C · Store below +30°C.
Water Solubility
Soluble in water
solubility
PBS (pH 7.2): 10 mg/ml

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 3.7% (3 of 80) of reports.

Danger

H314 (92.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (38.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 80 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 80 reports by companies.；There are 5 notifications provided by 77 of 80 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationPhosphorylethanolamine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (92.5%)；Eye Dam. 1 (38.8%)

Regulatory information

Regulatory InformationPhosphorylethanolamine: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk
3
tsca
TSCA listed
rtecs
KJ5830000
ridadr
UN 3261 8/PG 2
hs_code
29221990
Toxicity
LD50 orally in Rabbit: 5820 mg/kg

Chemistry & industry

Pharmacology

Tissue LocationsPlacenta
Cellular LocationsCytoplasm；Endoplasmic reticulum
Metabolite Pathways · 1 item

Fabry disease；Gaucher Disease；Globoid Cell Leukodystrophy；Krabbe disease；Lamivudine Metabolism Pathway；Metachromatic Leukodystrophy (MLD)；Phosphatidylcholine Biosynthesis；Phosphatidylcholine Biosynthesis PC(11D3/11D3)；Phosphatidylcholine Biosynthesis PC(11D3/11D5)；Phosphatidylcholine Biosynthesis PC(11D3/11M3)；Total 1853 pathways, visit the HMDB page for details

Uses & manufacturing

General Manufacturing InformationEthanol, 2-amino-, 1-(dihydrogen phosphate): ACTIVE
Applications · 2 items

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

UsesO-Phosphorylethanolamine has been used:in LHC-8 medium as a supplement in culturing the transformed human liver epithelial (THLE)-2 and THLE-3 cellsin C-reactive protein (CRP) binding sucrose flotation experimentto incubate phosphomonoesters with anion-exchange chromatography (AEC) fractions for the detection of phosphatase activityto add in the washed beads for the preparation of phosphorylethanolamine (Pet) -conjugated sepharose column for chromatographic purification of mutant CRP

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
山东新高度生物医药科技有限公司13583306133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 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.

Related reactions

2 records
New reaction record

Linked notes

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