tert-Butyl (2R)-2-methylpiperazine-1-carboxylate
Basic information
- CAS
170033-47-3- Standard SMILES
C[C@@H]1CNCCN1C(=O)OC(C)(C)C- InChIKey
DATRVIMZZZVHMP-MRVPVSSYSA-N- Molecular formula
- C10H20N2O2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.15247789
Names & identifiers
- Preferred name
- tert-Butyl (2R)-2-methylpiperazine-1-carboxylate
- IUPAC
- tert-butyl (2R)-2-methylpiperazine-1-carboxylate
- English name
- (R)-1-N-Boc-2-methylpiperazine
- Molecular formula
- C10H20N2O2
- Molecular weight
- 200.28
Names & synonyms
170033-47-3tert-butyl (2R)-2-methylpiperazine-1-carboxylateDTXSID90437487RefChem:382957DTXCID60388311640-907-4(R)-1-N-Boc-2-methylpiperazine(R)-1-Boc-2-Methylpiperazine(R)-tert-butyl 2-methylpiperazine-1-carboxylate(R)-1-BOC-2-METHYL-PIPERAZINE(r)-n-boc-2-methylpiperazine(R)-1-N-Boc-2-methyl piperazine
Show more names
(R)-2-METHYL-1-BOC-PIPERAZINE(N)-1-N-Boc-2-methyl-piperazine(R)-1-N-Boc-2-Methyl piperazine ,98%(2R)-2-Methylpiperazine, N1-BOC protectedTert-Butyl2(R)-methylpiperazine-1-carboxylate
MFCD018621201-Piperazinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, (2R)-tert-butyl (R)-2-methylpiperazine-1-carboxylate(R)-1-boc-methylpiperazine(R)-Boc-2-methylpiperazineSCHEMBL103217(R)-1-N-Boc-2-methyl pipera(R)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- CAS
170033-47-3- PubChem CID
- 10262201
- DTXSID
DTXSID90437487- EC Number
- 640-907-4
- Nikkaji
- J674.085E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 34 · 34-36 °C
- Boiling point
- 268.7 · 268.7±15.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 8.49 · 8.49±0.40(Predicted)
- color
- White crrystalline
- InChI
- InChI=1S/C10H20N2O2/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
- InChIKey
- DATRVIMZZZVHMP-MRVPVSSYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCNC[C@H]1C
- Comptox DTXSID
- 90437487 · DTXSID90437487
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- ridadr
- UN3077
- hs_code
- 2933599090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Applications
Uses(R)-1-Boc-2-methylpiperazine is a reagent in the synthesis of potent and bioavailable inhibitors of Na+/H+ enxchanger type 3 used in the treatment of sleep apneas.
Upstream & downstream products
Upstream raw materials
Related reactions
43 records
Compound notes
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