1-(3-bromophenyl)-N-(pyridin-2-ylmethyl)methanamine
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Basic information
- CAS
774556-95-5- Standard SMILES
Brc1cccc(CNCc2ccccn2)c1- InChIKey
OXMJFYVUYPQUFQ-UHFFFAOYSA-N- Molecular formula
- C13H13BrN2
- Average molar mass
- 277.16 g/mol
- Monoisotopic mass
- 276.02621
Names & identifiers
- Preferred name
- 1-(3-bromophenyl)-N-(pyridin-2-ylmethyl)methanamine
- IUPAC
- 1-(3-bromophenyl)-N-(pyridin-2-ylmethyl)methanamine
- English name
- 1-(3-BROMOPHENYL)-N-(PYRIDIN-2-YLMETHYL)METHANAMINE
- Molecular formula
- C13H13BrN2
- Molecular weight
- 277.16
Names & synonyms
1-(3-bromophenyl)-N-(pyridin-2-ylmethyl)methanamineN-(3-bromobenzyl)-N-(2-pyridinylmethyl)amineAN-465/42886034STK283542AKOS000244014774556-95-5(3-Bromo-benzyl)-pyridin-2-ylmethyl-amineN-(3-BROMOBENZYL)-N-(PYRIDIN-2-YLMETHYL)AMINE2-Pyridinemethanamine, N-[(3-bromophenyl)methyl]-
Database identifiers
- CAS
774556-95-5- PubChem CID
- 834517
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 367.2 · 367.2±27.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- pka
- 6.9 · 6.90±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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