ContaminantDB: SULFAMIC ACID

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

Record Information

Version

1.0

Creation Date

2016-05-19 02:27:52 UTC

Update Date

2016-11-09 01:13:37 UTC

Accession Number

CHEM007590

Identification

Common Name

SULFAMIC ACID

Class

Small Molecule

Description

The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms.

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals
HMDB Contaminants - Urine
HPV EPA Chemicals
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[S(NH2)O2(OH)]	ChEBI
Amidoschwefelsaeure	ChEBI
Amidosulfuric acid	ChEBI
Aminosulfonic acid	ChEBI
Imidosulfonic acid	ChEBI
Sulfamidic acid	ChEBI
Sulfamidsaeure	ChEBI
Sulfaminic acid	ChEBI
Sulphamic acid	ChEBI
Sulphamidic acid	ChEBI
Amidosulfate	Generator
Amidosulphate	Generator
Amidosulphuric acid	Generator
Aminosulfonate	Generator
Aminosulphonate	Generator
Aminosulphonic acid	Generator
Imidosulfonate	Generator
Imidosulphonate	Generator
Imidosulphonic acid	Generator
Sulfamidate	Generator
Sulphamidate	Generator
Sulphamidsaeure	Generator
Sulfaminate	Generator
Sulphaminate	Generator
Sulphaminic acid	Generator
Sulfamate	Generator
Sulfamic acid	Generator
Sulphamate	Generator
Amidosulfonate	Generator
Amidosulphonate	Generator
Amidosulphonic acid	Generator
Ammate	MeSH
Ammonium sulfamate	MeSH
Sulfamic acid, indium (+3) salt	MeSH
Sulfamic acid, magnesium salt (2:1)	MeSH
Sulfamic acid, monoammonium salt	MeSH
Sulfamic acid, monopotassium salt	MeSH
Sulfamic acid, nickel (+2) salt (2:1)	MeSH
Sulfamic acid, tin (+2) salt	MeSH
Sulfamic acid, zinc (2:1) salt	MeSH
7773-06-0 (mono-Ammonium salt)	HMDB
Amidohydroxidodioxidosulfur	HMDB
Aminosulfuric acid	HMDB
Jumbo	HMDB
Sulfamic acid, acs	HMDB
Sulfamic acid, reag	HMDB
Sulfuramidic acid	HMDB
Amidosulfonic acid	MeSH

Chemical Formula

H₃NO₃S

Average Molecular Mass

97.094 g/mol

Monoisotopic Mass

96.983 g/mol

CAS Registry Number

5329-14-6

IUPAC Name

sulfamic acid

Traditional Name

sulfonic acids

SMILES

NS(O)(=O)=O

InChI Identifier

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

InChI Key

IIACRCGMVDHOTQ-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

Molecular Framework

Not Available

External Descriptors

sulfamic acids (CHEBI:9330 )

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 GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9000000000-b80de3cb8454bb1abeb5	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-efeb3d84c84231391b2f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-040d54c18f68ee2f3646	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-ff40a709e1e93f1f4c0c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9000000000-89cae7eef527dd2813be	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-9000000000-2741d39506877b30d906	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-3f3ec45c890281a9c57c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-c5ebf2d9e270f55717cc	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004j-9000000000-d8fda243c9f129b34218	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-01t9-9000000000-6f08331e6575f7f6ee04	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9000000000-4f7eb7b70c6f30894509	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-9000000000-4f7eb7b70c6f30894509	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0002-9000000000-4f7eb7b70c6f30894509	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

HMDB0034830

FooDB ID

FDB013393

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

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.

SULFAMIC ACID (CHEM007590)

Structure for CHEM007590: SULFAMIC ACID