Decahydroquinoline, mixture of cis and trans - ≥95% , CAS No.2051-28-7

CAS: 2051-28-7 Cat. No.: D108004 Molecular Weight: 139.24 EC Number: 218-116-7

GRADE & PURITY ≥95%

Synonyms

W-107616 | AKOS000121442 | FT-0694934 | 2-Azabicyclo[4.4.0]decane | D2936 | Quinoline, decahydro-, trans- | AC-16185 | MFCD00006695 | SCHEMBL13447 | Quinoline, decahydro- | 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline | Quinoline, decahydro-, trans-(.+/-.)- |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

W-107616 | AKOS000121442 | FT-0694934 | 2-Azabicyclo[4.4.0]decane | D2936 | Quinoline, decahydro-, trans- | AC-16185 | MFCD00006695 | SCHEMBL13447 | Quinoline, decahydro- | 1, 2, 3, 4, 4a, 5, 6, 7, 8, 8a-decahydroquinoline | Quinoline, decahydro-, trans-(.+/-.)- |

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504756150
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756150
• Canonical Smiles: C1CCC2C(C1)CCCN2
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
• InChIKey: POTIYWUALSJREP-UHFFFAOYSA-N
• INCHI: 1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2
• Isomeric SMILES: C1CCC2C(C1)CCCN2
• WGK Germany: 3
• UN Number: 3082
• Molecular Weight: 139.24
• Reaxy-Rn: 80038
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=80038&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolidines
• Alternative Parents: Piperidines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Quinolidine - Piperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolidines. These are organic compounds containing a quinolidine or decahydroquinoline moiety, which is a bicyclic skeleton consisting of a piperidine fused to a cyclohexane ring.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: 1.4916
• Flash Point(°C): 68°C
• Melt Point(°C): 48°C
• Molecular Weight: 139.240 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 139.136 Da
• Monoisotopic Mass: 139.136 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 111.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Wanyi Li, Wenbiao Zhang, He Li, Yi Tang, Yahong Zhang.  (2026)  Zeolite subcrystal-induced formation of short and curved NiMoS2 slabs toward highly efficient hydrodesulfurization.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2026.116672]