Aminoethyl sulfate

C2H7NO4SCAS 926-39-6141.14 g/mol

Open in Covalent MOL file
H2NOSOOOH
Primary amine

Properties

Molecular formula
C2H7NO4S
Molar mass
141.14 g/mol
Exact mass
141.0096 Da
Melting point
162.5 °C (decomposes)
logP
-1.24Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
926-39-6
SMILES
NCCOS(=O)(=O)O
InChIKey
WSYUEVRAMDSJKL-UHFFFAOYSA-N
InChI
InChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 11.50 (br s, 1H), 4.34 (t, J = 7.0 Hz, 2H), 3.18 (t, J = 7.0 Hz, 2H), 1.20 (br s, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 74.6, 41.6.
[M + H]+
[M + H]+ Calcd for C2H8NO4S 142.0169
[M + Na]+
[M + Na]+ Calcd for C2H7NNaO4S 163.9988
[M − H]−
[M − H]− Calcd for C2H6NO4S 140.0023
Elemental analysis
Anal. Calcd for C2H7NO4S: C, 17.02; H, 5.00; N, 9.92; S, 22.71.

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Names and synonyms

17 names · show all
  • Ethanolamine-O-sulfate
  • Ethanol, 2-amino-, 1-(hydrogen sulfate)
  • Ethanol, 2-amino-, hydrogen sulfate (ester)
  • Ethanol, 2-amino-, hydrogen sulfate
  • Ethanol, 2-amino-, sulfate
  • Ethanolamine O-sulfate
  • 2-Aminoethyl hydrogen sulfate
  • 2-Aminoethyl sulfate
  • 2-Aminoethyl sulfuric acid
  • Mono(2-aminoethyl) sulfate
  • Ethanolamine sulfate
  • 2-Aminoethanol hydrogen sulfate (ester)
  • WAS-34
  • NSC 204188
  • NSC 3532
  • (2-Aminoethoxy)sulfonic acid
  • 2-Azaniumylethyl sulfate

Work with Aminoethyl sulfate

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

n-Butyl sulfate15507-13-850 % similar Ammonium lauryl sulfate2235-54-342 % similar Ammonium laureth sulfate32612-48-941 % similar Polyoxyethylene lauryl ether sodium sulfate9004-82-441 % similar 2-[(p-Aminophenyl)sulfonyl]ethyl hydrogen sulfate2494-89-541 % similar Hydroxylamine-O-sulfonic acid2950-43-840 % similar Taurine107-35-737 % similar Triethanolamine lauryl sulfate139-96-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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