4,5-Isobenzo[b]furandiol,1,3-dihydro-1-[[(1-methylethyl)amino]methyl]-
Basic information
- CAS
730919-58-1- Standard SMILES
CC(C)NCC1OCc2c1ccc(O)c2O- InChIKey
ZYUHGMPNKZHOSE-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
Names & identifiers
- Preferred name
- 4,5-Isobenzo[b]furandiol,1,3-dihydro-1-[[(1-methylethyl)amino]methyl]-
- IUPAC
- 1-[(propan-2-ylamino)methyl]-1,3-dihydro-2-benzofuran-4,5-diol
- English name
- 4,5-Isobenzofurandiol, 1,3-dihydro-1-[[(1-methylethyl)amino]methyl]- (9CI)
- Molecular formula
- C12H17NO3
- Molecular weight
- 223.26828
Names & synonyms
730919-58-1SCHEMBL109220354,5-isobenzo[b]furandiol,1,3-dihydro-1-[[(1-methylethyl)amino]methyl]-DB-2834464,5-ISOBENZOFURANDIOL, 1,3-DIHYDRO-1-[[(1-METHYLETHYL)AMINO]METHYL]-4,5-Isobenzofurandiol, 1,3-dihydro-1-[[(1-methylethyl)amino]methyl]- (9CI)
Database identifiers
- CAS
730919-58-1
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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