2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one
Basic information
- CAS
58418-25-0- Standard SMILES
CC(C)(C)Nc1nc2ccccc2c(=O)o1- InChIKey
UDVCHANICLJLAL-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- 2-(tert-Butylamino)-4H-3,1-benzoxazin-4-one
- IUPAC
- 2-(tert-butylamino)-3,1-benzoxazin-4-one
Names & synonyms
58418-25-02-(tert-Butylamino)-4H-3,1-benzoxazin-4-oneNSC297128DTXSID10315753NSC-297128
Database identifiers
- CAS
58418-25-0- PubChem CID
- 326236
- DTXSID
DTXSID10315753- Nikkaji
- J2.686.153E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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