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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 Aprofene , CAS No.3563-01-7
Synonyms
Aprofene|Aprophen|Aprofen|2-Diethylaminoethyl 2,2-diphenylpropionate|Aprofene [INN]|2-(Diethylamino)ethyl 2,2-diphenylpropanoate|Propionic acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester|2,2-Diphenylpropionic acid 2-diethylaminoethyl ester|Aprophenum|Aprofenum [INN-Latin]|Aprofeno [INN-Spanish]|Aprofeno|Aprofenum|2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester|alpha,alpha-Diphenylpropionic acid 2-diethylaminoethyl ester|alpha,alpha-Diphenylpropionic acid beta-diethylaminoethyl ester|alpha-Methyl-alpha-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester|Benzeneacetic acid, alpha-methyl-alpha-phenyl-, 2-(diethylamino)ethyl ester|2-(Diethylamino)ethyl 2,2-diphenylpropanoate #|.alpha.,.alpha.-Diphenylpropionic acid 2-diethylaminoethyl ester|2,2-Diphenyl-propionic acid 2-diethylamino-ethyl ester(Aprophen)|.alpha.,.alpha.-Diphenylpropionic acid .beta.-diethylaminoethyl ester|.alpha.-Methyl-.alpha.-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester|BENZENEACETIC ACID, .ALPHA.-METHYL-.ALPHA.-PHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER
仕様 同義語
Aprofene | Aprophen | Aprofen | 2-Diethylaminoethyl 2,2-diphenylpropionate | Aprofene [INN] | 2-(Diethylamino)ethyl 2,2-diphenylpropanoate | Propionic acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester | 2,2-Diphenylpropionic acid 2-diethylaminoethyl ester | Aprophenum | Aprofenum [INN-Latin] | Aprofeno [INN-Spanish] | Aprofeno | Aprofenum もっと見る
製品の性質 名前と識別子 カノニカル・スマイル
CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2
IUPAC Name
2-(diethylamino)ethyl 2,2-diphenylpropanoate
InChIKey
DIDYGLSKVUKRRP-UHFFFAOYSA-N
INCHI
1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
異性体SMILES
CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2
詳細データ Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids 分類 Benzene and substituted derivatives Subclass Diphenylmethanes Intermediate Tree Nodes Not available Direct Parent Diphenylmethanes Alternative Parents Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Diphenylmethane - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound 説明 This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. External Descriptors Not available 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 分子量 325.400 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 9 Exact Mass 325.204 Da Monoisotopic Mass 325.204 Da Topological Polar Surface Area 29.500 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 348.000 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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