2-Methylpiperazine
Basic information
- CAS
109-07-9- Standard SMILES
CC1CNCCN1- InChIKey
JOMNTHCQHJPVAZ-UHFFFAOYSA-N- Molecular formula
- C5H12N2
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.10004839
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Methylpiperazine
- IUPAC
- 2-methylpiperazine
- English name
- 2-Methylpiperazine
- Molecular formula
- C5H12N2
- Molecular weight
- 100.16
Names & synonyms
2-Methylpiperazine109-07-9Piperazine, 2-methyl-2-methyl piperazineD0LWN1061P2(s)-methyl piperazineNSC-5277DTXSID1021900RefChem:88369DTXCID901900203-644-2MFCD00005954
Show more names
MP2MPRZ2-methyl-piperazinPiperazine,2-methyl-2-Methylpiperazine>2-Methylpiperazine,98%2-Methylpiperazine ,99%2-Methylpiperazine, 97+%(+/-)-2-METHYLPIPERAZINE
2-methylpiperazin2-methypiperazine2-methylpiperizine3-methylpiperazinerac-2-methylpiperazine(RS)-2-methylpiperazineracemic 2-methylpiperazine2-METHYL-PIPERAZINE
Database identifiers
- CAS
109-07-9- PubChem CID
- 66057
- DTXSID
DTXSID1021900- UNII
- D0LWN1061P
- EC Number
- 203-644-2
- Nikkaji
- J68.144J
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 54
Physicochemical properties
- Melting point
- 61 · 61-63 °C (lit.)
- Boiling point
- 155 °C/763 · 155 °C/763 mmHg (lit.)
- Density
- 0.817 g/cm · 0.817 g/cm
- refractive index
- 1.4378 · 1.4378 (estimate)
- Flash point
- 149 °F · 149 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 435 g/l · 435g/l
- pka
- 1 · pK1:5.62(+2);pK2:9.60(+1) (25°C)
- form
- Crystalline Powder, Crystals and/or Chunks
- color
- White to yellow
- PH
- 11 · 11-12 (50g/l, H2O)
- Water Solubility
- 78 g/100 · 78 g/100 mL (25 ºC)
- Sensitive
- Air Sensitive & Hygroscopic
- BRN
- 383566 · 383566
- Henry's Law Constant
- 5 · 5.0×103 mol/(m3Pa) at 25℃, Nguyen (2013)
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 (99.4%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 154 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-methylpiperazine (EC: 203-644-2)
Hazard Classes and CategoriesFlam. Sol. 1 (99.4%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- TM1225020
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29339900
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39-36
- hazard_class
- 4.1
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPiperazine, 2-methyl-: ACTIVE
Applications
Uses2-Methylpiperazine is used as a reagent in the design, synthesis and biological evaluation of diaminoquinazolines as b-catenine/Tcell transcription factor 4 (Tcf4) pathway inhibitor.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
301 records
Compound notes
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