ContaminantDB: Ammonium sulfamate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:45:37 UTC

Update Date

2016-11-09 01:09:21 UTC

Accession Number

CHEM004452

Identification

Common Name

Ammonium sulfamate

Class

Small Molecule

Description

Contaminant Sources

Clean Air Act Chemicals
HPV EPA Chemicals
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
AMMONIUM sulfamic acid	Generator
AMMONIUM sulphamate	Generator
AMMONIUM sulphamic acid	Generator
Sulfamic acid, zinc (2:1) salt	MeSH
Sulfamic acid, indium (+3) salt	MeSH
Sulfamate	MeSH
Ammate	MeSH
Aminosulfonic acid	MeSH
Sulfamic acid, monoammonium salt	MeSH
Sulfamic acid	MeSH
Sulfamic acid, tin (+2) salt	MeSH
Amidosulfonic acid	MeSH
Sulfamic acid, monopotassium salt	MeSH
Sulfamic acid, magnesium salt (2:1)	MeSH
Sulfamic acid, nickel (+2) salt (2:1)	MeSH
Ammonium sulfamate	MeSH
Sulfamate amine	Generator
Sulphamate amine	Generator
Sulphamic acid amine	Generator

Chemical Formula

H₆N₂O₃S

Average Molecular Mass

114.120 g/mol

Monoisotopic Mass

114.010 g/mol

CAS Registry Number

7773-06-0

IUPAC Name

sulfamic acid amine

Traditional Name

sulfonic acids amine

SMILES

N.NS(O)(=O)=O

InChI Identifier

InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3

InChI Key

GEHMBYLTCISYNY-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Other non-metal organides

Sub Class

Other non-metal oxides

Direct Parent

Other non-metal oxides

Alternative Parents

Substituents

Other non-metal oxide
Sulfuric acid monoamide
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

organic molecular entity (CHEBI:81950 )
Inorganic herbicides (C18773 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-1.4	ChemAxon
pKa (Strongest Acidic)	-1.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	80.39 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	15.31 m³·mol⁻¹	ChemAxon
Polarizability	6.97 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0900000000-b67d1b925e89001306cf	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-0900000000-b67d1b925e89001306cf	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-0900000000-b67d1b925e89001306cf	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-0900000000-a7b7e449100c40d74b0c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-0900000000-a7b7e449100c40d74b0c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-03di-0900000000-a7b7e449100c40d74b0c	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

24482

Kegg Compound ID

C18773

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Ammonium sulfamate (CHEM004452)

Structure for CHEM004452: Ammonium sulfamate