Tert-butyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Basic information
- CAS
1707365-30-7- Standard SMILES
CC1=NC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)N1- InChIKey
BAKABJIIIWVUPV-UHFFFAOYSA-N- Molecular formula
- C13H21N3O3
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.15829154
Names & identifiers
- Preferred name
- Tert-butyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
- IUPAC
- tert-butyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
- English name
- tert-Butyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
- Molecular formula
- C13H21N3O3
- Molecular weight
- 267.32
Names & synonyms
1707365-30-7tert-butyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylateMFCD26097173Tert-butyl 2-methyl-4-oxo-1,3,8-triazaspiro[4.5]Dec-2-ene-8-carboxylateSCHEMBL13551776DTXSID401121291AKOS027390952KS-8490CS-0448263F3304668-Boc-2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-enetert-butyl2-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Show more names
1,3,8-Triazaspiro[4.5]dec-1-ene-8-carboxylic acid, 2-methyl-4-oxo-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1707365-30-7- PubChem CID
- 70933103
- DTXSID
DTXSID401121291
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Boiling point
- 376.4 · 376.4±52.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 6.14 · 6.14±0.20(Predicted)
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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