Basic information
- CAS
62100-99-6- Standard SMILES
CN1CCCCC1c1ccccc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
XOOXGZGVEWIXDI-UHFFFAOYSA-N- Molecular formula
- C18H20N4O7
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.13319899
Names & identifiers
- Preferred name
- 1-Methyl-2-phenylpiperidine;2,4,6-trinitrophenol
- IUPAC
- 1-methyl-2-phenylpiperidine;2,4,6-trinitrophenol
Names & synonyms
62100-99-6NSC363743DTXSID30320703NSC-3637432,4,6-Trinitrophenol--1-methyl-2-phenylpiperidine (1/1)
Database identifiers
- CAS
62100-99-6- PubChem CID
- 338917
- DTXSID
DTXSID30320703
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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