Phosphorylethanolamine

C₂H₈NO₄PCAS 1071-23-4141.06 g/mol

Open in Covalent MOL file

Phosphate Primary amine

Properties

Molecular formula: C₂H₈NO₄P
Molar mass: 141.06 g/mol
Exact mass: 141.0191 Da
Melting point: 233–235 °C
logP: -0.95Crippen estimate
Polar surface area: 92.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Identifiers

CAS number

1071-23-4

SMILES

NCCOP(=O)(O)O

InChIKey

SUHOOTKUPISOBE-UHFFFAOYSA-N

InChI

InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all

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
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

Work with Phosphorylethanolamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Monolauryl phosphate2627-35-247 % similar Creatinolfosfate6903-79-342 % similar Pyrophosphoric acid2466-09-339 % similar O-Phospho-dl-serine17885-08-437 % similar Phosphoserine407-41-037 % similar (2-Aminoethyl)phosphonic acid2041-14-737 % similar 2-Aminoethyl ether2752-17-235 % similar Phytic acid83-86-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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