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· · COA & SDS available for every product · Same-day shipping on in-stock items [3S-(3α,4aβ,8aβ)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide - ≥97% , CAS No.136465-81-1
Synonyms
(S)-N-t-Butyl decahydro-3-iso-quinolinecarboxamide | [3S-(3alpha,4abeta,8abeta)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide, 98% | CCG-247503 | (S)-N-tert-Butyldecahydroisoquinoline-3-carboxamide | (3S,4aS,8aS)-N-tert-Butyl decahydroisoquinoline-3-
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Fragment present in various HIV-1 protease inhibitors currently
Specifications Synonyms
(S)-N-t-Butyl decahydro-3-iso-quinolinecarboxamide | [3S-(3alpha, 4abeta, 8abeta)]-N-(tert-Butyl)decahydro-3-isoquinolinecarboxamide, 98% | CCG-247503 | (S)-N-tert-Butyldecahydroisoquinoline-3-carboxamide | (3S, 4aS, 8aS)-N-tert-Butyl decahydroisoquinoline-3-
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488189870 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488189870 Canonical Smiles CC(C)(C)NC(=O)C1CC2CCCCC2CN1 IUPAC Name (3S,4aS,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide InChIKey UPZBXVBPICTBDP-TUAOUCFPSA-N INCHI 1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1 Isomeric SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1 WGK Germany 3 Molecular Weight 238.37 Reaxy-Rn 13429052 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13429052&ln=
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 Kingdom Organic compounds Superclass Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Alpha amino acid amides Alternative Parents Piperidinecarboxamides Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aliphatic heteropolycyclic compounds Substituents Alpha-amino acid amide - 2-piperidinecarboxamide - Piperidinecarboxamide - Piperidine - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Aliphatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Specific Rotation[α] -73 ° (C=1, MeOH) Melt Point(°C) 112-115°C Molecular Weight 238.370 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 238.205 Da Monoisotopic Mass 238.205 Da Topological Polar Surface Area 41.100 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 282.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 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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