기본 정보
- CAS
73-40-5- 표준 SMILES
Nc1nc2nc[nH]c2c(=O)[nH]1- InChIKey
UYTPUPDQBNUYGX-UHFFFAOYSA-N- 분자식
- C5H5N5O
- 평균 분자량
- 151.13 g/mol
- 단동위원소 질량
- 151.04940978
개요
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.
이름 및 식별자
- 우선 이름
- Guanine
- IUPAC
- 2-amino-1,7-dihydropurin-6-one
- 현지명
- 구아닌
- 영어명
- Guanine
- 분자식
- C5H5N5O
- 분자량
- 151.13
이름 및 동의어
guanine73-40-52-Amino-6-hydroxypurine2-AminohypoxanthineGuaninMearlmaidGuanine enolPearl essenceStella PolarisDew PearlNaturonNatural white 1
이름 더 보기
2-아미노-1,7-다이하이드로-6H-푸린-6-온구아닌2-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
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 225
실험 및 물리화학적 성질
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
2.08 mg/mL at 37 °C
Boiling PointBOILING POINT: SUBLIMES
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
독성 정보
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.
안전 데이터
화학 및 산업
약리 정보
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)
용도 및 제조
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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