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

Hazards

Danger

H314 Causes severe skin burns and eye damage92.5% of notifiers
H318 Causes serious eye damage38.8% of notifiers

Aggregated from 80 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

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

Lauryl 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 12-Methacryloyldodeylphosphate85590-00-736 % similar 2-Aminoethyl ether2752-17-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia