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108-49-6 molecular structure
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2,6-dimethylpiperazine

ChemBase ID: 10709
Molecular Formular: C6H14N2
Molecular Mass: 114.18876
Monoisotopic Mass: 114.11569846
SMILES and InChIs

SMILES:
C1(CNCC(N1)C)C
Canonical SMILES:
CC1CNCC(N1)C
InChI:
InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3
InChIKey:
IFNWESYYDINUHV-UHFFFAOYSA-N

Cite this record

CBID:10709 http://www.chembase.cn/molecule-10709.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dimethylpiperazine
IUPAC Traditional name
2,6-dimethylpiperazine
Synonyms
2,6-Dimethylpiperazine
2,6-Dimethylpiperazine
2,6-二甲基哌嗪
CAS Number
108-49-6
EC Number
203-588-9
MDL Number
MFCD07772435
MFCD00005956
Beilstein Number
79881
PubChem SID
24893547
160974016
PubChem CID
66056

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.3636115  LogD (pH = 7.4) -2.2065456 
Log P 0.10434322  Molar Refractivity 34.2864 cm3
Polarizability 14.118806 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
108-111 °C(lit.) expand Show data source
108-111°C expand Show data source
Boiling Point
162 °C(lit.) expand Show data source
162°C expand Show data source
Flash Point
113 °F expand Show data source
45 °C expand Show data source
Hydrophobicity(logP)
-0.446 expand Show data source
Storage Warning
FLAMMABLE expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1325 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H228-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1325 4.1/PG 2 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H14N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204352 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D179809 external link
Other Notes
Remainder water
Packaging
1, 5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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