Triethylamine, 2,2',2''-trichloro-, picrate
Basic information
- CAS
6138-32-5- Standard SMILES
ClCCN(CCCl)CCCl.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
VQDVGOXTETZJCE-UHFFFAOYSA-N- Molecular formula
- C12H15Cl3N4O7
- Average molar mass
- 433.6 g/mol
- Monoisotopic mass
- 432.000632
Names & identifiers
- Preferred name
- Triethylamine, 2,2',2''-trichloro-, picrate
- IUPAC
- 2-chloro-N,N-bis(2-chloroethyl)ethanamine;2,4,6-trinitrophenol
Names & synonyms
Triethylamine, 2,2',2''-trichloro-, picrateTri-(beta-chloroethyl)ammonium picrateAmmonium, tri-(beta-chloroethyl)-, picrate6138-32-5DTXSID50210298RefChem:386163DTXCID501327892,4,6-Trinitrophenol--2-chloro-N,N-bis(2-chloroethyl)ethan-1-amine (1/1)
Database identifiers
- CAS
6138-32-5- PubChem CID
- 111157
- DTXSID
DTXSID50210298
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 347
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Related reactions
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Compound notes
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