Aprofene , CAS No.3563-01-7

CAS: 3563-01-7 Cat. No.: A667953 分子式: C21H27NO2 分子量: 325.4 PubChem CID: 71128
注文可能
Synonyms
Aprofene | Aprophen | Aprofen | 2-Diethylaminoethyl 2,2-diphenylpropionate | Aprofene [INN] | 2-(Diethylamino)ethyl 2,2-diphenylpropanoate | PL791XXJ7B | Propionic acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester | DTXSID8046294 | 2,2-Diphenylpropionic ac
Storage
Room temperature
★
Size
USA
ドイツ (EU)*
Price
Qty
1mg
A667953-1mg
受注生産 · 8~12週間

$571.90

$857.90
保存 $286.00 (33.34%)
5mg
A667953-5mg
受注生産 · 8~12週間

$1,999.90

$2,999.90
保存 $1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語
Aprofene | Aprophen | Aprofen | 2-Diethylaminoethyl 2,2-diphenylpropionate | Aprofene [INN] | 2-(Diethylamino)ethyl 2,2-diphenylpropanoate | PL791XXJ7B | Propionic acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester | DTXSID8046294 | 2,2-Diphenylpropionic ac
保管条件
Room temperature
アクションタイプ
INHIBITOR
製品の性質
ALogP3.8
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 Name2-(diethylamino)ethyl 2,2-diphenylpropanoate
InChIKeyDIDYGLSKVUKRRP-UHFFFAOYSA-N
INCHI1S/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
PubChem CID 71128
分子量 325.4

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassDiphenylmethanes
Intermediate Tree Nodes Not available
Direct ParentDiphenylmethanes
Alternative Parents Trialkylamines  Carboxylic acid esters  Amino acids and derivatives  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic 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
3 D構造
インタラクティブ化学構造モデル





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作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量325.400 g/mol
XLogP33.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass325.204 Da
Monoisotopic Mass325.204 Da
Topological Polar Surface Area29.500 Ų
Heavy Atom Count24
Formal Charge0
Complexity348.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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