Bis(2-hydroxyethyl)ammonium sulphamate (CED0056850)

Record Information
Version1.0
Creation Date2026-04-05 23:04:55 UTC
Update Date2026-04-05 23:04:55 UTC
SynCED IDCED0056850
Secondary Accession Numbers
  • CHEM111610
Identification
Common NameBis(2-hydroxyethyl)ammonium sulphamate
ClassSmall Molecule
Description
Bis(2-hydroxyethyl)ammonium sulphamate belongs to the sulfuric acid monoamides, a subclass of organic sulfuric acids and derivatives within the organic compounds. This compound has the chemical formula C4H11NO2.H3NO3S. It is further classified within the superclass of organic acids and derivatives.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC4H11NO2.H3NO3S
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C4H11NO2.H3NO3S/c6-3-1-5-2-4-7;1-5(2,3)4/h5-7H,1-4H2;(H3,1,2,3,4)
InChI KeyCGVQSPFFDKZASE-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1082.0 Log mg/kg [610:1900]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.471
Statistical Significance
0.0123
Supporting Reference Compounds
242
E-value
95.521
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.471
Statistical Significance
0.0069
Supporting Reference Compounds
151
E-value
54.1052
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.471
Statistical Significance
0.0086
Supporting Reference Compounds
193
E-value
67.1839
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.471
Statistical Significance
0.0225
Supporting Reference Compounds
372
E-value
175.316
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.471
Statistical Significance
0.0294
Supporting Reference Compounds
472
E-value
229.032
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.471
Statistical Significance
0.0249
Supporting Reference Compounds
407
E-value
193.922
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.471
Statistical Significance
0.0044
Supporting Reference Compounds
43
E-value
34.098
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.471
Statistical Significance
0.0044
Supporting Reference Compounds
41
E-value
34.0201
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.304
Statistical Significance
0.0226
Supporting Reference Compounds
172
E-value
175.784
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.304
Statistical Significance
0.0175
Supporting Reference Compounds
157
E-value
136.625
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.304
Statistical Significance
0.0236
Supporting Reference Compounds
165
E-value
183.724
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.29 Low confidence
Statistical Significance
0.0755
Supporting Reference Compounds
332
E-value
587.528
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseP40881Methanosarcina thermophilaPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.471
Statistical Significance
0.0053
Supporting Reference Compounds
22
E-value
41.3379
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.29 Low confidence
Statistical Significance
0.0091
Supporting Reference Compounds
44
E-value
71.1542
Acetylpolyamine amidohydrolase structureClick to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
3.90e-04
Supporting Reference Compounds
1
E-value
3.03612
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0266
Supporting Reference Compounds
78
E-value
207.39
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseP53615Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.29 Low confidence
Statistical Significance
0.0088
Supporting Reference Compounds
34
E-value
68.5073
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.29 Low confidence
Statistical Significance
0.0306
Supporting Reference Compounds
64
E-value
237.985
Click to view 3D structureDeoxyhypusine synthaseQ6AY53Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.286 Low confidence
Statistical Significance
4.10e-04
Supporting Reference Compounds
3
E-value
3.19182
Carbonic anhydrase 13 structureClick to view 3D structureCarbonic anhydrase 13Q8N1Q1HumansPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.257 Low confidence
Statistical Significance
0.0463
Supporting Reference Compounds
92
E-value
360.675
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.29 Low confidence
Statistical Significance
0.0295
Supporting Reference Compounds
46
E-value
229.5
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ5AJ71Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.29 Low confidence
Statistical Significance
0.0467
Supporting Reference Compounds
68
E-value
363.789
Beta-carbonic anhydrase 1 structureClick to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.29 Low confidence
Statistical Significance
0.0344
Supporting Reference Compounds
55
E-value
267.801
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.29 Low confidence
Statistical Significance
0.014
Supporting Reference Compounds
40
E-value
109.222
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.29 Low confidence
Statistical Significance
0.0165
Supporting Reference Compounds
38
E-value
128.296
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available