1,3-Dimethylpiperidine; 2,4,6-trinitrophenol
Basic information
- CAS
16780-02-2- Standard SMILES
CC1CCCN(C)C1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
VDKXCKCUFRECLK-UHFFFAOYSA-N- Molecular formula
- C13H18N4O7
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.11754893
Names & identifiers
- Preferred name
- 1,3-Dimethylpiperidine; 2,4,6-trinitrophenol
- IUPAC
- 1,3-dimethylpiperidine;2,4,6-trinitrophenol
Names & synonyms
16780-02-21,3-dimethylpiperidine; 2,4,6-trinitrophenolNSC363880DTXSID90320729NSC-363880DS-0083312,4,6-Trinitrophenol--1,3-dimethylpiperidine (1/1)
Database identifiers
- CAS
16780-02-2- PubChem CID
- 338997
- DTXSID
DTXSID90320729
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…