Basic information
- CAS
56865-98-6- Standard SMILES
Br.NCCCc1cc(O)ccc1O- InChIKey
BQKSTIMTRFPXMR-UHFFFAOYSA-N- Molecular formula
- C9H14BrNO2
- Average molar mass
- 248.12 g/mol
- Monoisotopic mass
- 247.02079079
Names & identifiers
- Preferred name
- gamma-Aminopropylhydroquinone.hydrobromide
- IUPAC
- 2-(3-aminopropyl)benzene-1,4-diol;hydrobromide
Names & synonyms
56865-98-6gamma-Aminopropylhydroquinone.hydrobromideSCHEMBL11674699DTXSID20612821BQKSTIMTRFPXMR-UHFFFAOYSA-N2-(3-Aminopropyl)benzene-1,4-diol--hydrogen bromide (1/1)
Database identifiers
- CAS
56865-98-6- PubChem CID
- 21390156
- DTXSID
DTXSID20612821
Properties
Computed structural properties
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 130
Related reactions
1 records
Compound notes
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