N-(carbazol-9-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
Basic information
- CAS
93408-11-8- Standard SMILES
ClCCN(CCCl)Cn1c2ccccc2c2ccccc21- InChIKey
HNFNFZFQNLYOQS-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N2
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 320.084704
Names & identifiers
- Preferred name
- N-(carbazol-9-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
- IUPAC
- N-(carbazol-9-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
- English name
- N-(carbazol-9-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
- Molecular formula
- C17H18Cl2N2
- Molecular weight
- 321.24
Names & synonyms
93408-11-8N-(carbazol-9-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamineNSC63338NCIOpen2_008082DTXSID50289742NSC-63338N-[(9H-Carbazol-9-yl)methyl]-2-chloro-N-(2-chloroethyl)ethan-1-amine9H-Carbazole-9-methanamine, N,N-bis(2-chloroethyl)-
Database identifiers
- CAS
93408-11-8- PubChem CID
- 247889
- DTXSID
DTXSID50289742
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 414.3 · 414.3±43.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.50(Predicted)
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Compound notes
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