2-Butyl-1,3-dihydro-1,3,2-benzodiazaborole
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Basic information
- CAS
31748-14-8- Standard SMILES
CCCCB1Nc2ccccc2N1- InChIKey
RCSZCZMEDUHDAV-UHFFFAOYSA-N- Molecular formula
- C10H15BN2
- Average molar mass
- 174.05 g/mol
- Monoisotopic mass
- 174.1328287
Names & identifiers
- Preferred name
- 2-Butyl-1,3-dihydro-1,3,2-benzodiazaborole
- IUPAC
- 2-butyl-1,3-dihydro-1,3,2-benzodiazaborole
- English name
- 2-Butyl-2,3-dihydro-1H-1,3,2-benzodiazaborole
- Molecular formula
- C10H15BN2
- Molecular weight
- 174.05
Names & synonyms
31748-14-82-Butyl-2,3-dihydro-1H-1,3,2-benzodiazaborole2-butyl-1,3-dihydro-1,3,2-benzodiazaboroleo-Phenylenediamine cyclic butaneboronate1H-1,3,2-Benzodiazaborole, 2-butyl-2,3-dihydro-DTXSID30323855RCSZCZMEDUHDAV-UHFFFAOYSA-NNSC405003NSC-405003o-Phenylenediamine cyclic butaneboronamide1H-1,2-Benzodiazaborole, 2-butyl-2,3-dihydro-2-Butyl-2,3-dihydro-1H-1,3,2-benzodiazaborole #
Database identifiers
- CAS
31748-14-8- PubChem CID
- 346706
- DTXSID
DTXSID30323855- Nikkaji
- J102.471J
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
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Compound notes
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