Basic information
- CAS
90389-94-9- Standard SMILES
CCNCc1cccc(I)c1- InChIKey
ZTWPXWGSUQMMGY-UHFFFAOYSA-N- Molecular formula
- C9H12IN
- Average molar mass
- 261.1 g/mol
- Monoisotopic mass
- 261.00145
Names & identifiers
- Preferred name
- Benzenemethanamine, N-ethyl-3-iodo-
- IUPAC
- N-[(3-iodophenyl)methyl]ethanamine
- English name
- DL-3-Hydroxy-4-methoxymandelic acid)
- Molecular weight
- 0
Names & synonyms
90389-94-9ETHYL[(3-IODOPHENYL)METHYL]AMINEBenzenemethanamine, N-ethyl-3-iodo-N-[(3-iodophenyl)methyl]ethanamine91318-74-090389-59-6CHEMBL1178177SCHEMBL13382311DTXSID80919823A1-19822
Database identifiers
- CAS
90389-94-9、91318-74-0- PubChem CID
- 485404
- DTXSID
DTXSID80919823- ChEMBL
CHEMBL1178177
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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