CAS 766-17-6 rel-(2R,6S)-2,6-Dimethylpiperidine (HCID 641768)

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Basic information

CAS: 766-17-6
Standard SMILES: C[C@@H]1CCC[C@H](C)N1
InChIKey: SDGKUVSVPIIUCF-KNVOCYPGSA-N
Molecular formula: C7H15N
Average molar mass: 113.2 g/mol
Monoisotopic mass: 113.12044948

Overview

See also: Nanofin (annotation moved to).

Names & identifiers

Preferred name: rel-(2R,6S)-2,6-Dimethylpiperidine
IUPAC: (2R,6S)-2,6-dimethylpiperidine
English name: cis-2,6-Dimethylpiperidine
Molecular formula: C7H15N
Molecular weight: 113.2

Names & synonyms

RefChem:879129rel-(2R,6S)-2,6-Dimethylpiperidinecis-2,6-Dimethylpiperidine766-17-6(2R,6S)-2,6-dimethylpiperidinecis-Hexahydro-2,6-lutidinecis-2,6-Lupetidinecis-2,6-dimethyl-piperidine(2S,6R)-2,6-dimethylpiperidineMFCD00066304Piperidin, 2e,6e-dimethylNCGC00016653-01

Show more names

2,6-Lupetidinecis-2,6-dimetylopiperidine2,6-DIMETHYLPIPERIDINE, CIScis-2,6-Dimethylpiperidine 98%cis-2,6-Dimethylpiperidine >cis-2,6-DiMethylpiperidine, 97+%

CAS-5072-45-7cis-Lupetidine(2R,6S)-rel-2,6-Dimethylpiperidine; cis-2,6-Dimethylpiperidine; (2R,6S)-2,6-Dimethylpiperidine; meso-2,6-Lupetidine; rel-(2R,6S)-2,6-Dimethylpiperidine;Prestwick0_000666Prestwick1_000666Prestwick2_000666Prestwick3_000666cis-26-Dimethylpiperidine

Database identifiers

CAS: 766-17-6
PubChem CID: 641768
DTXSID: DTXSID30859422

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 62.8

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP1.53

Physicochemical properties

Melting point: -20 °C · <-20°C
Boiling point: 127 · 127-128 °C768 mm Hg(lit.)
Density: 0.84 g/mL · 0.84 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4394(lit.)
Flash point: 53 °F · 53 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Soluble), Methanol (Slightly)
form: Liquid
pka: 1 · pK1:11.07(+1) (25°C)
color: Clear colorless to yellow
InChI: 1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/t6-,7+

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: OK5775000
ridadr: UN 1993 3/PG 2
hs_code: 2933399990
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07,GHS05
hazard_code: F,Xi
safety_code: 16-26
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H314-H225-H315-H319-H335
Limited Quantities: 1.0 L (0.3 gallon) (liquid)

Chemistry & industry

Applications

Usescis-2,6-Lupetidine, is used in elimination reactions, and also as a reactant for corrosion inhibitors for iron in HCl. It can also be used as a catalyst for the preparation of aliphatic amines.