Basic information
- CAS
66384-49-4- Standard SMILES
NCCc1ccccc1I- InChIKey
YNDYXJUDBNYUBF-UHFFFAOYSA-N- Molecular formula
- C8H10IN
- Average molar mass
- 247.08 g/mol
- Monoisotopic mass
- 246.9858
Names & identifiers
- Preferred name
- 2-(2-Iodophenyl)ethanamine
- IUPAC
- 2-(2-iodophenyl)ethanamine
- English name
- 2-iodophenethylaMine
- Molecular formula
- C8H10IN
- Molecular weight
- 247.08
Names & synonyms
2-(2-iodophenyl)ethanamine66384-49-4DTXSID90441125RefChem:250777DTXCID203919472-(2-iodophenyl)ethan-1-amineCHEMBL4765172-iodophenethylamine2-(2-Iodophenyl)ethylamineSCHEMBL3055393YNDYXJUDBNYUBF-UHFFFAOYSA-NBDBM50262756
Show more names
o-Iodophenethylamine2-IodobenzeneethanamineBenzeneethanamine, 2-iodo-
CS-0531082EN300-1717103
Database identifiers
- CAS
66384-49-4- PubChem CID
- 10514616
- DTXSID
DTXSID90441125- ChEMBL
CHEMBL476517- Nikkaji
- J1.956.820B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Boiling point
- 284 ℃ · 284℃
- Density
- 1.669 · 1.669
- Flash point
- 125 ℃ · 125℃
- pka
- 9.58 · 9.58±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
深圳爱拓化学有限公司0755- 33239182 · [email protected]
Related reactions
4 records
Compound notes
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