Basic information
- CAS
152535-08-5- Standard SMILES
NCCNC(=O)c1cccc(Br)c1- InChIKey
WRQPJKCUPLIGAV-UHFFFAOYSA-N- Molecular formula
- C9H11BrN2O
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 242.00548
Names & identifiers
- Preferred name
- N-(2-aminoethyl)-3-bromobenzamide
- IUPAC
- N-(2-aminoethyl)-3-bromobenzamide
Names & synonyms
N-(2-aminoethyl)-3-bromobenzamide152535-08-5CHEMBL128615SCHEMBL5862900DTXSID301300189AKOS000182940EN300-145590A1-17980
Database identifiers
- CAS
152535-08-5- PubChem CID
- 10705366
- DTXSID
DTXSID301300189- ChEMBL
CHEMBL128615- Nikkaji
- J566.692I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…