Basic information
- CAS
1237518-72-7- Standard SMILES
CC(C)(C)OC(=O)c1ccc(-c2ccccn2)cc1N- InChIKey
DETUJHSDSYXOER-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.13682782
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 2-amino-4-(2-pyridinyl)benzoate
- IUPAC
- tert-butyl 2-amino-4-pyridin-2-ylbenzoate
Names & synonyms
1,1-Dimethylethyl 2-amino-4-(2-pyridinyl)benzoateSCHEMBL1316109DTXSID1012344271237518-72-7tert-Butyl 2-amino-4-(pyridin-2-yl)benzoate
Database identifiers
- CAS
1237518-72-7- PubChem CID
- 58508676
- DTXSID
DTXSID101234427
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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