1-(3,4-Dibromophenyl)ethan-1-amine
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Basic information
- CAS
89981-06-6- Standard SMILES
CC(N)c1ccc(Br)c(Br)c1- InChIKey
OIFDONQQWGNRSM-UHFFFAOYSA-N- Molecular formula
- C8H9Br2N
- Average molar mass
- 278.97 g/mol
Names & identifiers
- Preferred name
- 1-(3,4-Dibromophenyl)ethan-1-amine
- IUPAC
- 1-(3,4-dibromophenyl)ethanamine
- English name
- 1-(3,4-Dibromophenyl)ethan-1-amine
- Molecular formula
- C8H9Br2N
- Molecular weight
- 278.97176
Names & synonyms
1-(3,4-DIBROMOPHENYL)ETHAN-1-AMINE89981-06-61-(3,4-dibromophenyl)ethanamineSCHEMBL6814502MFCD22393290SY385246DB-115769EN300-19109293,4-Dibromo-α-methylbenzenemethanamineBenzenemethanamine, 3,4-dibromo-α-methyl-
Database identifiers
- CAS
89981-06-6
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 133 · 133-135 °C(Press: 4 Torr)
- Density
- 1.754 · 1.754±0.06 g/cm3(Predicted)
- pka
- 8.51 · 8.51±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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