Phosphoethanolamine

HCID 1015CAS 1071-23-4

기본 정보

표준 SMILES
NCCOP(=O)(O)O
InChIKey
SUHOOTKUPISOBE-UHFFFAOYSA-N
분자식
C2H8NO4P
평균 분자량
141.06 g/mol
단동위원소 질량
141.01909473

이름 및 식별자

우선 이름
Phosphoethanolamine
IUPAC
2-aminoethyl dihydrogen phosphate
영어명
O-Phosphorylethanolamine
분자식
C2H8NO4P
분자량
141.06

이름 및 동의어

O-Phosphorylethanolamine2-Aminoethyl dihydrogen phosphate1071-23-4O-PhosphoethanolaminePhosphorylethanolaminephosphoethanolamineColamine phosphateethanolamine phosphateEthanolamine O-phosphatePhosphonoethanolaminePhosphorylcolamineMono(2-aminoethyl) phosphate
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
-4.8
극성 표면적
92.8 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
3
무거운 원자 수
8

실험 및 물리화학적 성질

Solubility72 mg/mL
Melting Point · 2건

241-243 °C

241 - 243 °C

Physical DescriptionSolid
Collision Cross Section · 3건

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]-

물리화학적 성질

녹는점
241 · 241-243 °C(lit.)
끓는 점
335.8 · 335.8±44.0 °C(Predicted)
밀도
1.554 · 1.554±0.06 g/cm3(Predicted)
저장 조건
30 °C · Store below +30°C.
수용성
물에 용해됨
용해도
PBS (pH 7.2): 10 mg/ml

화학적 성질

O-PHOSPHORYLETHANOLAMINE is white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

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%)

규제 정보

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

안전 데이터

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

화학 및 산업

약리 정보

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

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

용도 및 제조

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

응용 분야

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

공급사50 곳

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]
추가 설명 · 1건

정의ChEBI: 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.

관련 반응

2건

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