tert-Butyl ((1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl)methyl)carbamate
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Basic information
- CAS
1353989-78-2- Standard SMILES
CCOc1cc(N2CCCCC2CNC(=O)OC(C)(C)C)ncn1- InChIKey
CWRHWFVPVIMSHA-UHFFFAOYSA-N- Molecular formula
- C17H28N4O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.21614077
Names & identifiers
- Preferred name
- tert-Butyl ((1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl)methyl)carbamate
- IUPAC
- tert-butyl N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
- English name
- [1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-2-ylMethyl]-carbaMic acid tert-butyl ester
- Molecular formula
- C17H28N4O3
- Molecular weight
- 336.43
Names & synonyms
1353989-78-2tert-Butyl ((1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl)methyl)carbamate[1-(6-Ethoxy-pyrimidin-4-yl)-piperidin-2-ylmethyl]-carbamic acid tert-butyl estertert-butyl N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]carbamatetert-Butyl {[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl}carbamateDTXSID901118796AKOS024463487DB-322143G69790F089013tert-butyl N-[[1-(6-ethoxypyrimidin-4-yl)-2-piperidyl]methyl]carbamatetert-Butyl((1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl)methyl)carbamate
Show more names
[1-(6-Ethoxy-pyrimidin-4-yl)-piperidin-2-ylmethyl ]-carbamic acid tert-butyl esterCarbamic acid, N-[[1-(6-ethoxy-4-pyrimidinyl)-2-piperidinyl]methyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353989-78-2- PubChem CID
- 66569743
- DTXSID
DTXSID901118796
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 505.5 · 505.5±35.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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