Basic information
- CAS
7511-15-1- Standard SMILES
CN(C)Cc1cc2ccccc2[nH]1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
MHHQSXTXWCGRCF-UHFFFAOYSA-N- Molecular formula
- C17H17N5O7
- Average molar mass
- 403.3 g/mol
- Monoisotopic mass
- 403.1127979
Names & identifiers
- Preferred name
- 1-(1H-indol-2-yl)-N,N-dimethylmethanamine;2,4,6-trinitrophenol
- IUPAC
- 1-(1H-indol-2-yl)-N,N-dimethylmethanamine;2,4,6-trinitrophenol
Names & synonyms
7511-15-1NSC405974DTXSID50324182NSC-4059742,4,6-Trinitrophenol--1-(1H-indol-2-yl)-N,N-dimethylmethanamine (1/1)
Database identifiers
- CAS
7511-15-1- PubChem CID
- 347339
- DTXSID
DTXSID50324182
Properties
Computed structural properties
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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