Basic information
- Standard SMILES
CCOC(OCC)C(=N)NCc1cccc(Br)c1- InChIKey
SHTZWMUGTLYWKT-UHFFFAOYSA-N- Molecular formula
- C13H19BrN2O2
- Average molar mass
- 315.21 g/mol
- Monoisotopic mass
- 314.06299
Names & identifiers
- Preferred name
- N-(3-Bromobenzyl)-2,2-diethoxyacetimidamide
- IUPAC
- N'-[(3-bromophenyl)methyl]-2,2-diethoxyethanimidamide
Names & synonyms
N-(3-Bromobenzyl)-2,2-diethoxyacetimidamide1192815-00-1N-(3-bromo-benzyl)-2,2-diethoxy-acetamidineSCHEMBL558857SHTZWMUGTLYWKT-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 58088047
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Related reactions
3 records
Compound notes
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