Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1ccc(C(=N)N)cc1- InChIKey
LMLOCNYIOURAQV-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.12117776
Names & identifiers
- Preferred name
- 4-Carbamimidoyl-benzoic acid tert-butyl ester
- IUPAC
- tert-butyl 4-carbamimidoylbenzoate
Names & synonyms
SCHEMBL4900034LMLOCNYIOURAQV-UHFFFAOYSA-N4-carbamimidoyl-benzoic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57094593
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Related reactions
1 records
Compound notes
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