Basic information
- CAS
106941-20-2- Standard SMILES
NC(N)=NCc1ccc(N)c(I)c1- InChIKey
BSBGVSWPOFOHRE-UHFFFAOYSA-N- Molecular formula
- C8H11IN4
- Average molar mass
- 290.1 g/mol
- Monoisotopic mass
- 290.00284
Overview
labeled with 125I; structure given in first source
Names & identifiers
- Preferred name
- 3-Iodo-4-aminobenzylguanidine
- IUPAC
- 2-[(4-amino-3-iodophenyl)methyl]guanidine
Names & synonyms
3-Iodo-4-aminobenzylguanidine4-Amino-3-iodobenzylguanidine4-Aibg0S3OB5S6WTDTXSID30147836RefChem:97749DTXCID9070327106941-20-2UNII-0S3OB5S6WTAIBGSCHEMBL10891686SCHEMBL10891693
Show more names
BSBGVSWPOFOHRE-UHFFFAOYSA-NIODO-4-AMINOBENZYLGUANIDINE 3-N''-[(4-AMINO-3-IODOPHENYL)METHYL]GUANIDINEQ27237168Guanidine, ((4-amino-3-(iodo-I125)-phenyl)methyl)-
Database identifiers
- CAS
106941-20-2- PubChem CID
- 129477
- DTXSID
DTXSID30147836- UNII
- 0S3OB5S6WT
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…