2,6-Dimethylpiperazine
Basic information
- CAS
108-49-6- Standard SMILES
CC1CNCC(C)N1- InChIKey
IFNWESYYDINUHV-UHFFFAOYSA-N- Molecular formula
- C6H14N2
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.11569846
Names & identifiers
- Preferred name
- 2,6-Dimethylpiperazine
- IUPAC
- 2,6-dimethylpiperazine
- English name
- 2,6-Dimethylpiperazine
- Molecular formula
- C6H14N2
- Molecular weight
- 114.19
Names & synonyms
2,6-Dimethylpiperazine108-49-6Piperazine, 2,6-dimethyl-EINECS 203-588-9NSC 49197DTXSID70883302Piperazine, 2,6-dimethyl-, cis-RefChem:83339DTXCID40836042203-588-9IFNWESYYDINUHV-OLQVQODUSA-NIFNWESYYDINUHV-UHFFFAOYSA-N
Show more names
Dimethylpiperazine26DMPRZ6-DiMethylpiperazine2,6-dimethyl-piperazin2,6-Dimenthylpiperazine2,6-Dimethylpiperazine ,98%(s,s)2,6-Dimethylpiperazine(2,6-CIS-DIMETHYL)PIPERAZINE
InChI=1/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3,5-dimethylpiperazineMFCD000059562,6-dimehtylpiperazinePiperazine,6-dimethyl-trans-2,6-dimethylpiperazine(2R,6R)-2,6-Dimethyl-piperazineNSC49197
Database identifiers
- CAS
108-49-6- PubChem CID
- 66056
- DTXSID
DTXSID70883302- EC Number
- 203-588-9
- Nikkaji
- J147.994F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.9
Physicochemical properties
- Melting point
- 108 · 108-111 °C (lit.)
- Boiling point
- 162 °C · 162 °C (lit.)
- Density
- 0.914 · 0.9140 (estimate)
- refractive index
- 1.4628 · 1.4628 (estimate)
- Flash point
- 113 °F · 113 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 9.38 · 9.38±0.60(Predicted)
- color
- Pale Yellow to Light Yellow
- Sensitive
- Light Sensitive & Hygroscopic
- BRN
- 79881 · 79881
- InChI
- 1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3
- InChIKey
- IFNWESYYDINUHV-UHFFFAOYSA-N
- SMILES
- CC1CNCC(C)N1
- CAS DataBase Reference
- 108 · 108-49-6(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 149 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 1 (100%)
Safety data
- F
- 3-8-10-34
- PPE
- dust mask type N95 (US), Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 2933599090
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi,C
- safety_code
- 26-36-16-7/8
- hazard_class
- 4.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- III
- target organs
- Respiratory system
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPiperazine, 2,6-dimethyl-: ACTIVE
Applications
Uses2,6-Dimethylpiperazine is used in the synthesis of piperazine derivatives for various pharmaceutical application. Also used in the preparation of anticancer agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
212 records
Compound notes
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