Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide
Basic information
- CAS
582-40-1- Standard SMILES
Br.CC(C)(C)NCC(O)c1cccc(F)c1- InChIKey
OXZRPXMOSXXAFN-UHFFFAOYSA-N- Molecular formula
- C12H19BrFNO
- Average molar mass
- 292.19 g/mol
- Monoisotopic mass
- 291.0634
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-(tert-butylaminomethyl)-3-fluoro-, hydrobromide
- IUPAC
- 2-(tert-butylamino)-1-(3-fluorophenyl)ethanol;hydrobromide
Names & synonyms
582-40-1BENZYL ALCOHOL, alpha-(tert-BUTYLAMINOMETHYL)-3-FLUORO-, HYDROBROMIDERefChem:10794542-tert-Butylamino-1-(3-fluorophenyl)ethanol hydrobromideEthanol, 2-tert-butylamino-1-(3-fluorophenyl)-, hydrobromidealpha-(tert-Butylaminomethyl)-3-fluorobenzyl alcohol hydrobromideDTXSID309737582-(tert-Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)
Database identifiers
- CAS
582-40-1- PubChem CID
- 11401
- DTXSID
DTXSID30973758
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 191
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Related reactions
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Compound notes
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