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766-17-6 molecular structure
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(2R,6S)-2,6-dimethylpiperidine

ChemBase ID: 151464
Molecular Formular: C7H15N
Molecular Mass: 113.2007
Monoisotopic Mass: 113.12044949
SMILES and InChIs

SMILES:
C[C@@H]1CCC[C@@H](N1)C
Canonical SMILES:
C[C@@H]1CCC[C@@H](N1)C
InChI:
InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/t6-,7+
InChIKey:
SDGKUVSVPIIUCF-KNVOCYPGSA-N

Cite this record

CBID:151464 http://www.chembase.cn/molecule-151464.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,6S)-2,6-dimethylpiperidine
IUPAC Traditional name
(2R,6S)-2,6-dimethylpiperidine
Synonyms
2,6-Lupetidine
cis-2,6-Dimethylpiperidine
2,6-Dimethylpiperidine, predominantly cis
(2R,6S)-2,6-dimethylpiperidine
2,6-二甲基哌啶
顺式-2,6-二甲基哌啶
2,6-二甲基哌啶, 主要是顺式
CAS Number
766-17-6
504-03-0
EC Number
207-981-6
MDL Number
MFCD00066304
Beilstein Number
79827
PubChem SID
24893548
24865954
162245617
PubChem CID
641768

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 641768 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7448595  LogD (pH = 7.4) -1.4086671 
Log P 1.4906377  Molar Refractivity 35.673 cm3
Polarizability 14.445701 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
<-20°C expand Show data source
Boiling Point
126-129°C expand Show data source
127-128 °C/768 mmHg(lit.) expand Show data source
Flash Point
11°C(51°F) expand Show data source
12 °C expand Show data source
53.6 °F expand Show data source
Density
0.832 expand Show data source
0.84 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4400 expand Show data source
n20/D 1.4394(lit.) expand Show data source
n20/D 1.440 expand Show data source
Hydrophobicity(logP)
1.973 expand Show data source
RTECS
OK5775000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
UN2733 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-34 expand Show data source
11-36/37/38 expand Show data source
Safety Statements
16-26 expand Show data source
16-26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H314-H318 expand Show data source
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
P210-P280-P303+P361+P353-P305+P351+P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 2 expand Show data source
Purity
≥97.0% (GC) expand Show data source
95% expand Show data source
98% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C7H15N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 41470 external link
Packaging
100 mL in glass bottle
Application
Reagent for elimination reactions1Reactant for corrosion inhibitors for iron in HCl2Catalyst for: Preparation of aliphatic amines3 Ketene forming eliminations4 Stereoselective synthesis of triflates5
Sigma Aldrich - D180300 external link
Packaging
5, 100 g in glass bottle
Application
Reagent for elimination reactions1Reactant for corrosion inhibitors for iron in HCl2Catalyst for: Preparation of aliphatic amines3 Ketene forming eliminations4 Stereoselective synthesis of triflates5

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Has been used as a base for the isolation of naturally-occurring carboxylic acids as their crystalline salts: J. Org. Chem., 30, 654 (1965).
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PATENTS

PATENTS

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INTERNET

INTERNET

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