2-Aminoethyldihydrogenphosphat

Phosphoethanolamine

HCID 1015CAS 1071-23-4
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Grundinformationen

Standard-SMILES
NCCOP(=O)(O)O
InChIKey
SUHOOTKUPISOBE-UHFFFAOYSA-N
Summenformel
C2H8NO4P
Durchschnittliche Molmasse
141,06 g/mol
Monoisotopische Masse
141,01909473

Namen und Bezeichner

Bevorzugter Name
Phosphoethanolamine
IUPAC
2-aminoethyl dihydrogen phosphate
Lokaler Name
2-Aminoethyldihydrogenphosphat
Englischer Name
O-Phosphorylethanolamine
Summenformel
C2H8NO4P
Molmasse
141.06

Namen und Synonyme

O-Phosphorylethanolamine2-Aminoethyl dihydrogen phosphate1071-23-4O-PhosphoethanolaminePhosphorylethanolaminephosphoethanolamineColamine phosphateethanolamine phosphateEthanolamine O-phosphatePhosphonoethanolaminePhosphorylcolamineMono(2-aminoethyl) phosphate
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-4,8
Polarare Oberfläche (TPSA)
92,8 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
3
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Solubility72 mg/mL
Melting Point · 2 Einträge

241-243 °C

241 - 243 °C

Physical DescriptionSolid
Collision Cross Section · 3 Einträge

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]-

Physikochemische Eigenschaften

Schmelzpunkt
241 · 241-243 °C(lit.)
Siedepunkt
335.8 · 335.8±44.0 °C(Predicted)
Dichte
1.554 · 1.554±0.06 g/cm3(Predicted)
storage temp.
30 °C · Store below +30°C.
Wasserlöslichkeit
Soluble in water
Löslichkeit
PBS (pH 7.2): 10 mg/ml

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

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%)

Regulatorische Informationen

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

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29221990
RTECS-Nr.
KJ5830000
risk_code
25-34

Chemie und Industrie

Pharmakologische Informationen

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

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

Verwendung und Herstellung

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

Anwendungen

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

Anbieter50 Anbieter

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]
Ergänzende Hinweise · 1 Eintrag

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.

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