Showing Compound Hydroxylamine (FDB007499)

Record Information

Version

1.0

Creation date

2010-04-08 22:07:38 UTC

Update date

2019-11-26 03:01:41 UTC

Primary ID

FDB007499

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Hydroxylamine

Description

Hydroxylamine is a reactive chemical with formula NH2OH. It can be considered a hybrid of ammonia and water due to parallels it shares with each. At room temperature pure NH2OH is ordinarily a white, unstable crystalline, hygroscopic compound; Hydroxylamine is a reactive chemical with formula NH2OH. It can be considered a hybrid of ammonia and water due to parallels it shares with each. At room temperature pure NH2OH is ordinarily a white, unstable crystalline, hygroscopic compound; however it is almost always encountered as an aqueous solution.; NH2OH is an intermediate in biological nitrification. The oxidation of NH3 is mediated by hydroxylamine oxidoreductase (HAO).; however it is almost always encountered as an aqueous solution.; A colorless inorganic compound (HONH2) used in organic synthesis and as a reducing agent, due to its ability to donate nitric oxide.; Hydroxylamine may explode on heating. It is an irritant to the respiratory tract, skin, eyes, and other mucous membranes. It may be absorbed through the skin, is harmful if swallowed, and is a possible mutagen.; NH2OH is an intermediate in the biological nitrification. The oxidation of NH3 is mediated by HAO (hydroxylamine oxidoreductase). Hydroxylamine is found in gram bean and mung bean.

CAS Number

7803-49-8

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

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Synonym	Source
(1) Hydroxylamine	HMDB
(1) hydroxylamine	biospider
[NH2OH]	ChEBI
Chloride, hydroxylammonium	MeSH, HMDB
Dihydridohydroxidonitrogen	HMDB
H2NHO	ChEBI
HOA	biospider
Hydrochloride, hydroxylamine	MeSH, HMDB
HYDROXYAMINE	ChEBI
Hydroxyamine	biospider

Showing 1 to 10 of 23 entries

Predicted Properties

Property	Value	Source
logP	-0.74	ChemAxon
pKa (Strongest Acidic)	17.65	ChemAxon
pKa (Strongest Basic)	3.94	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	46.25 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	7.85 m³·mol⁻¹	ChemAxon
Polarizability	2.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

H3NO

IUPAC name

hydroxylamine

InChI Identifier

InChI=1S/H3NO/c1-2/h2H,1H2

InChI Key

AVXURJPOCDRRFD-UHFFFAOYSA-N

Isomeric SMILES

Average Molecular Weight

33.0299

Monoisotopic Molecular Weight

33.021463723

Classification

Description

Belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Homogeneous other non-metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous other non-metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous other non metal

Molecular Framework

Not Available

External Descriptors

hydroxylamines (CHEBI:15429 )
a small molecule (HYDROXYLAMINE )

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Biological:

Plant:

Fabaceae

Biological location:

Cell and elements:

Cell:

Fibroblast

Tissue and substructures:

Epidermis

Organ and components:

Subcellular:

Cytoplasm

Biofluid and excreta:

Role

Biological role:

Molecular messenger:

Signaling molecule

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	5.94
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	Not Available
Melting Point	33 oC
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
GC-MS	Hydroxylamine, 3 TMS, GC-MS Spectrum	splash10-00di-9800000000-40500c2ce42330f68e23	Spectrum
GC-MS	Hydroxylamine, 3 TMS, GC-MS Spectrum	splash10-001j-1900000000-380d2510f339c8852cae	Spectrum
GC-MS	Hydroxylamine, non-derivatized, GC-MS Spectrum	splash10-00di-9800000000-40500c2ce42330f68e23	Spectrum
GC-MS	Hydroxylamine, non-derivatized, GC-MS Spectrum	splash10-001j-1900000000-380d2510f339c8852cae	Spectrum
GC-MS	Hydroxylamine, non-derivatized, GC-MS Spectrum	splash10-00m1-1900000000-7c1a1a9c2955e5f4d75e	Spectrum
Predicted GC-MS	Hydroxylamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-001i-9000000000-6a1320306a7bbc43c258	Spectrum
Predicted GC-MS	Hydroxylamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Hydroxylamine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-001i-9000000000-17862dd274dc5ae95e9b	2012-07-25	View Spectrum
MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-001i-9000000000-c7d671f97d82bbe3e458	2012-07-25	View Spectrum
MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-001i-9000000000-36b50bedfc3b86b95fdf	2012-07-25	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-190eddac91b76eed9065	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-190eddac91b76eed9065	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-190eddac91b76eed9065	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-20928e005423160892f3	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-20928e005423160892f3	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-20928e005423160892f3	2017-09-01	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-190eddac91b76eed9065	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-190eddac91b76eed9065	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-190eddac91b76eed9065	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-6c136ec6f9ff4bb55445	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-6c136ec6f9ff4bb55445	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-6c136ec6f9ff4bb55445	2021-09-23	View Spectrum