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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 3-Aminophenol - ≥99% , CAS No.591-27-5
Storage
Protected from light,Room temperature,Argon charged
Shipped In
FedEx DG Service
仕様 保管条件
Protected from light,Room temperature,Argon charged
名前と識別子 パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/504752158
カノニカル・スマイル
C1=CC(=CC(=C1)O)N
InChIKey
CWLKGDAVCFYWJK-UHFFFAOYSA-N
INCHI
1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
異性体SMILES
C1=CC(=CC(=C1)O)N
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636059&ln=
詳細データ Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids 分類 Benzene and substituted derivatives Subclass Aniline and substituted anilines Intermediate Tree Nodes Not available Direct Parent Aniline and substituted anilines Alternative Parents m-Aminophenols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents M-aminophenol - Aniline or substituted anilines - Aminophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound 説明 This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. External Descriptors aminophenol Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 溶解度 Soluble in water (35 mg/ml at 20°C), ether, alcohol, amyl alcohol, and benzene (slightly). 感度 air & light sensitive 引火点（°C） 155℃ 沸点（°C） 164 °C/11 mmHg 融点（°C） 123℃ 分子量 109.130 g/mol XLogP3 0.200 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 109.053 Da Monoisotopic Mass 109.053 Da Topological Polar Surface Area 46.300 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 74.900 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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