Basic information
- CAS
62924-69-0- Standard SMILES
CCCNCc1c(Cl)cccc1Cl- InChIKey
RWUWXULYALWAGV-UHFFFAOYSA-N- Molecular formula
- C10H13Cl2N
- Average molar mass
- 218.12 g/mol
- Monoisotopic mass
- 217.0425048
Names & identifiers
- Preferred name
- [(2,6-Dichlorophenyl)methyl](propyl)amine
- IUPAC
- N-[(2,6-dichlorophenyl)methyl]propan-1-amine
- English name
- [(2,6-dichlorophenyl)methyl](propyl)amine
- Molecular formula
- C10H13Cl2N
- Molecular weight
- 218.12
Names & synonyms
62924-69-0[(2,6-Dichlorophenyl)methyl](propyl)amineBenzenemethanamine, 2,6-dichloro-N-propyl-N-[(2,6-dichlorophenyl)methyl]propan-1-amineMFCD04564529CHEMBL1182848DTXSID20212128AKOS000201626EN300-167269
Database identifiers
- CAS
62924-69-0- PubChem CID
- 457601
- DTXSID
DTXSID20212128- ChEMBL
CHEMBL1182848
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 276.3 · 276.3±25.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 8.43 · 8.43±0.19(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…