2-(Butylamino)-1-(4-iodophenyl)ethanol hydrochloride
Basic information
- CAS
7512-27-8- Standard SMILES
CCCCNCC(O)c1ccc(I)cc1.Cl- InChIKey
CSORGFCAAJJMHQ-UHFFFAOYSA-N- Molecular formula
- C12H19ClINO
- Average molar mass
- 355.64 g/mol
- Monoisotopic mass
- 355.01999
Names & identifiers
- Preferred name
- 2-(Butylamino)-1-(4-iodophenyl)ethanol hydrochloride
- IUPAC
- 2-(butylamino)-1-(4-iodophenyl)ethanol;hydrochloride
Names & synonyms
7512-27-8DTXSID206394722-(BUTYLAMINO)-1-(4-IODOPHENYL)ETHANOL HYDROCHLORIDENSC4008822-butylamino-1-(4-iodophenyl)ethanolNSC-400882DS-0130902-(Butylamino)-1-(4-iodophenyl)ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
7512-27-8- PubChem CID
- 24200749
- DTXSID
DTXSID20639472
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 158
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Compound notes
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