Basic information
- CAS
120737-78-2- Standard SMILES
CC1CNCCN1C(=O)OC(C)(C)C- InChIKey
DATRVIMZZZVHMP-UHFFFAOYSA-N- Molecular formula
- C10H20N2O2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.15247788
Overview
See also: 2-Methylpiperazine, N1-BOC protected (annotation moved to).
Names & identifiers
- Preferred name
- tert-Butyl 2-methylpiperazine-1-carboxylate
- IUPAC
- tert-butyl 2-methylpiperazine-1-carboxylate
- English name
- 1-Boc-2-Methylpiperazine
- Molecular formula
- C10H20N2O2
- Molecular weight
- 200.28
Names & synonyms
tert-Butyl 2-methylpiperazine-1-carboxylateDTXSID40568013RefChem:1099513DTXCID105187871-Boc-2-methylpiperazine120737-78-2n-1-boc-2-methylpiperazineMFCD021791681-N-Boc-2-methylpiperazinen-4-boc-3-methyl-piperazine2-methyl-piperazine-1-carboxylic acid tert-butyl ester1-Boc-2-methyl-piperazine
Show more names
N-Boc-2-methylpiperazineN-4-BOC-3-METHYLPIPERIZINE4-N-Boc-3-methylpiperazine4-Boc-3-Methyl piperazine1-N-Boc-2-methyl-piperizine
1-PIPERAZINECARBOXYLIC ACID, 2-METHYL-, 1,1-DIMETHYLETHYL ESTERBOC-2-methylpiperazine1-(tert-Butoxycarbonyl)-2-methylpiperazine2-methylpiperazine-1-carSCHEMBL1022932-methylpiperazine-1-carboxylic acid tert-butyl esterorb3031691SCHEMBL9031377
Database identifiers
- CAS
120737-78-2- PubChem CID
- 15087784
- DTXSID
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
- 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
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 8.49 · 8.49±0.40(Predicted)
- color
- Colourless
- CAS DataBase Reference
- 120737 · 120737-78-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
- RIDADR
- 2735 · 2735
- HazardClass
- IRRITANT
- PackingGroup
- Ⅲ
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety data
- ridadr
- 2735
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- packing_group
- Ⅲ
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Applications
Usestert-Butyl 2-methylpiperazine-1-carboxylate is a useful reagent used in the synthesis of anthrafuran carboxamides with antitumor properties.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Related reactions
55 records
Compound notes
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