Grundinformationen
- CAS
73-40-5- Standard-SMILES
Nc1nc2nc[nH]c2c(=O)[nH]1- InChIKey
UYTPUPDQBNUYGX-UHFFFAOYSA-N- Summenformel
- C5H5N5O
- Durchschnittliche Molmasse
- 151,13 g/mol
- Monoisotopische Masse
- 151,04940978
Überblick
Guanine is a 2-aminopurine carrying a 6-oxo substituent. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a human metabolite and an algal metabolite. It is a member of 2-aminopurines, an oxopurine and a purine nucleobase. It derives from a hydride of a 9H-purine.
Namen und Bezeichner
- Bevorzugter Name
- Guanine
- IUPAC
- 2-amino-1,7-dihydropurin-6-one
- Lokaler Name
- Guanin
- Englischer Name
- Guanine
- Summenformel
- C5H5N5O
- Molmasse
- 151.13
Namen und Synonyme
guanine73-40-52-Amino-6-hydroxypurine2-AminohypoxanthineGuaninMearlmaidGuanine enolPearl essenceStella PolarisDew PearlNaturonNatural white 1
Weitere Namen anzeigen
2-AMINO-1,9-DIHYDRO-6H-PURIN-6-ONEGuaquanineci751702-amino-1H-purin-6(9H)-onepearlessence
Natural pearl essence6H-Purin-6-one, 2-amino-1,7-dihydro-2-Amino-1,7-dihydro-6H-purin-6-oneCI Natural white 1C.I. Natural White 1Hypoxanthine, 2-amino-6-Hydroxy-2-aminopurine2-amino-1,7-dihydropurin-6-one
Datenbank-Bezeichner
- CAS
73-40-5- PubChem CID
- 135398634
- DTXSID
DTXSID9052476- ChEMBL
CHEMBL219568- ChEBI
CHEBI:16235- UNII
- 5Z93L87A1R
- EC Number
- 200-799-8
- Nikkaji
- J2.052.450B、J9.344K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 96,2 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 225
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Biological Agents -> Nucleic Acids and Derivatives
Dye
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsOpacifying; Cosmetic colorant
LogP
-0.91
-0.91
Food AdditivesDrugs, Cosmetics -> FDA Regulatory Status of Color Additives
Color/Form
SEVERAL DESMOTROPIC FORMS; USUALLY AMORPHOUS
SMALL RHOMBIC CRYSTALS BY SLOW EVAPORATION OF AQ SOLN CONTAINING LARGE EXCESS OF AMMONIA
NEEDLES OR PLATES FROM AMMONIUM HYDROXIDE
Solubility
CRYSTALLINE POWDER; LOSES WATER @ 100 °C & HYDROGEN CHLORIDE @ 200 °C; PRACTICALLY INSOL IN WATER, ALC, ETHER; SOL IN ACIDULATED WATER /HYDROCHLORIDE/
FREELY SOL IN DIL ACIDS & AQ POTASSIUM HYDROXIDE SOLN; SPARINGLY SOL IN ALCOHOL; ALMOST INSOL IN WATER
SOL IN AMMONIUM HYDROXIDE & ALKALI; SLIGHTLY SOL IN ETHER; INSOL IN ACETIC ACID, SLIGHTLY SOL IN ETHER
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.9% (1 of 115) of reports.
Warning
H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 6H-Purin-6-one, 2-amino-1,7-dihydro-
Status: Active Update: 12-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17941
6H-Purin-6-one, 2-amino-1,7-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 6H-Purin-6-one, 2-amino-1,7-dihydro-: Environment tier I assessment
Hazards SummaryOral lethal-dose (mouse) > 3,333 mg/kg; [RTECS] An irritant; Tumor development reported in experimental animals; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (98.3%)
Toxikologische Informationen
Natural Pollution Sources
OCCURS IN ANIMAL & PLANT KINGDOM. FIRST ISOLATED FROM GUANO.
PURINE CONSTITUENT OF RIBONUCLEIC ACID & DEOXYRIBONUCLEIC ACID. USUAL SOURCES...SUGAR BEETS, YEAST, CLOVER SEED & FISH SCALES.
Sicherheitsdaten
Chemie und Industrie
Pharmakologische Informationen
Absorption, Distribution and ExcretionORAL ADMINISTRATION OF GUANINE TO RATS RESULTED IN INCREASED URINARY EXCRETION OF THE NITROGEN COMPOUNDS, UREA AND AMMONIA.
Tissue LocationsEpidermis
Cellular LocationsExtracellular
Metabolite PathwaysAdenine phosphoribosyltransferase deficiency (APRT)
Verwendung und Herstellung
Uses
Component of nucleic acids found throughout nature; [Merck Index] Used in biochemical research and as a colorant for externally applied cosmetics and drugs; [HSDB]
BIOCHEMICAL RESEARCH, COSMETICS
COLOR ADDITIVE
Methods of ManufacturingFISHER, BER 30, 2226 (1897); TRAUBE, BER 33, 1371 (1900). GERMAN PATENTS 134,984 (1903), 158,591 (1903), 162,336 (1904). PREPARATION OF (15)N-ISOTOPIC GUANINE FOLLOWING TRAUBE'S SYNTHESIS: PLENTL, SCHOENHEIMER, J BIOL CHEM 153, 203 (1944).
Formulations/PreparationsAVAILABLE AS HYDROCHLORIDE OR HEMISULFATE
Household ProductsInformation on 23 consumer products that contain Guanine in the following categories is provided:
Use ClassificationCosmetics -> Opacifying; Cosmetic colorant
General Manufacturing Information
6H-Purin-6-one, 2-amino-1,9-dihydro-: ACTIVE
GUANINE IS PERMANENTLY LISTED UNDER THE FEDERAL FOOD, DRUG AND COSMETIC ACT AS A COLOR ADDITIVE FOR USE IN EXTERNALLY APPLIED DRUGS AND COSMETICS, INCLUDING THOSE INTENDED FOR USE IN THE AREA OF THE EYE.
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