cis-2,6-Dimethylpiperidine - ≥97% , CAS No.766-17-6

CAS: 766-17-6 Cat. No.: C153870 Molecular Weight: 113.2 Beilstein Registry Number: 20108 EC Number: 616-362-3

GRADE & PURITY ≥97%

Synonyms

cis-2,6-Dimethylpiperidine 766-17-6 | EN300-96678 | Piperidin, 2e,6e-dimethyl | SCHEMBL83612 | cis-Hexahydro-2,6-lutidine | DTXSID30859422 | BSPBio_000731 | Piperidine, 2,6-dimethyl-, (2R,6S)-rel- | cis-2,6-dimethyl piperidine | (2R,6S)-2,6-dimethylpiperi

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Usually used as reagent for elimination reactions,corrosion inhibitors for iron in HCl.

Specifications

Synonyms

cis-2, 6-Dimethylpiperidine 766-17-6 | EN300-96678 | Piperidin, 2e, 6e-dimethyl | SCHEMBL83612 | cis-Hexahydro-2, 6-lutidine | DTXSID30859422 | BSPBio_000731 | Piperidine, 2, 6-dimethyl-, (2R, 6S)-rel- | cis-2, 6-dimethyl piperidine | (2R, 6S)-2, 6-dimethylpiperi

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488190932
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190932
• Canonical Smiles: CC1CCCC(N1)C
• IUPAC Name: (2R,6S)-2,6-dimethylpiperidine
• InChIKey: SDGKUVSVPIIUCF-KNVOCYPGSA-N
• INCHI: 1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/t6-,7+
• Isomeric SMILES: C[C@@H]1CCC[C@@H](N1)C
• WGK Germany: 3
• RTECS: OK5775000
• Alternate CAS: 504-03-0
• UN Number: 2733
• Packing Group: II
• Molecular Weight: 113.2
• Beilstein: 20108
• Reaxy-Rn: 79827
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=79827&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• 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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.44
• Flash Point(°F): 53.6 °F
• Flash Point(°C): 11 °C
• Boil Point(°C): 127 °C
• Molecular Weight: 113.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.12 Da
• Monoisotopic Mass: 113.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

References

1. Chao Ma, Xiaona Liu, Yang Hong, Nana Yan, Chenyang Nie, Jing Wang, Peng Guo, Zhongmin Liu.  (2023)  Fluoride- and Seed-Free Synthesis of Pure-Silica Zeolite Adsorbent and Matrix Using OSDA-Mismatch Approach.  Journal of the American Chemical Society,      [PMID:37877469] [10.1021/jacs.3c08484]

2. Yu Zhou, Zitao Wang, Yajie Ke, Jianming Zheng, Chunye Xu.  (2023)  High-performance black electrochromic devices using benzothiadiazole viologen and trisaminocyclopropenium perchlorate with extremely low transmittance and good stability.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2023.111620]