4-(Aminomethyl)-2-bromoaniline
Basic information
- CAS
42580-43-8- Standard SMILES
NCc1ccc(N)c(Br)c1- InChIKey
XZROQRMSJUCXKB-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2
- Average molar mass
- 201.06 g/mol
- Monoisotopic mass
- 199.99491
Names & identifiers
- Preferred name
- 4-(Aminomethyl)-2-bromoaniline
- IUPAC
- 4-(aminomethyl)-2-bromoaniline
Names & synonyms
4-(aminomethyl)-2-bromoaniline42580-43-8SCHEMBL114418014-Amino-3-bromobenzenemethanamineDTXSID401299884AKOS013644144
Database identifiers
- CAS
42580-43-8- PubChem CID
- 23346972
- DTXSID
DTXSID401299884
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
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Compound notes
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