Basic information
- CAS
126210-33-1- Standard SMILES
COc1cc(CCN)c(OC)cc1[125I]- InChIKey
PQHQBRJAAZQXHL-GQCOAOBCSA-N- Molecular formula
- C10H14INO2
- Average molar mass
- 305.13 g/mol
- Monoisotopic mass
- 305.00708389
Overview
RN given refers to 125I-labeled cpd
Names & identifiers
- Preferred name
- Benzeneethanamine, 4-(iodo-125I)-2,5-dimethoxy-
- IUPAC
- 2-(4-(125I)iodo-2,5-dimethoxyphenyl)ethanamine
- English name
- 2-(2,5-dimethoxy-4-iodophenyl)aminoethane
- Molecular weight
- 0
Names & synonyms
126210-33-12-(2,5-Dimethoxy-4-iodophenyl)aminoethaneRefChem:916876Benzeneethanamine, 4-(iodo-125I)-2,5-dimethoxy-DIAE2-(4-(125I)Iodanyl-2,5-dimethoxyphenyl)ethanamineSCHEMBL29467343DTXSID20925448PQHQBRJAAZQXHL-GQCOAOBCSA-N2-[4-(~125~I)Iodo-2,5-dimethoxyphenyl]ethan-1-amine
Database identifiers
- CAS
126210-33-1- PubChem CID
- 195464
- DTXSID
DTXSID20925448
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Related reactions
2 records
Compound notes
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