Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| 정식 스마일 | CC1=CC=C(C=C1)CNC(=O)N2CCCC3(C2)CCN(C3)CC4=CC(=C(C=C4)Cl)Cl |
|---|---|
| IUPAC Name | (5R)-2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide |
| InChIKey | YFDASBFQKMHSSJ-XMMPIXPASA-N |
| INCHI | 1S/C24H29Cl2N3O/c1-18-3-5-19(6-4-18)14-27-23(30)29-11-2-9-24(17-29)10-12-28(16-24)15-20-7-8-21(25)22(26)13-20/h3-8,13H,2,9-12,14-17H2,1H3,(H,27,30)/t24-/m1/s1 |
| 이성체 SMILES | CC1=CC=C(C=C1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)CC4=CC(=C(C=C4)Cl)Cl |
| PubChem CID | 73291790 |
| 분자량 | 446.41 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| 분류 | Azaspirodecane derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azaspirodecane derivatives |
| Alternative Parents | Piperidinecarboxamides Phenylmethylamines Dichlorobenzenes Benzylamines Toluenes Aralkylamines N-alkylpyrrolidines Aryl chlorides Ureas Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Azaspirodecane - 1-piperidinecarboxamide - Piperidinecarboxamide - Benzylamine - 1,2-dichlorobenzene - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Toluene - Aryl halide - Piperidine - Aryl chloride - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Pyrrolidine - Tertiary amine - Urea - Tertiary aliphatic amine - Azacycle - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom. |
| External Descriptors | Not available |
| 용해성 | DMSO : 67.5 mg/mL (151.21 mM; Need ultrasonic) Ethanol : 50 mg/mL (112.00 mM; Need ultrasonic) |
|---|---|
| 분자량 | 446.400 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 445.169 Da |
| Monoisotopic Mass | 445.169 Da |
| Topological Polar Surface Area | 35.600 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 583.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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