N,N-dimethylprop-2-en-1-amine;2,4,6-trinitrophenol
Basic information
- CAS
91969-13-0- Standard SMILES
C=CCN(C)C.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
NUYKXVDRGXGDEC-UHFFFAOYSA-N- Molecular formula
- C11H14N4O7
- Average molar mass
- 314.25 g/mol
- Monoisotopic mass
- 314.0862488
Names & identifiers
- Preferred name
- N,N-dimethylprop-2-en-1-amine;2,4,6-trinitrophenol
- IUPAC
- N,N-dimethylprop-2-en-1-amine;2,4,6-trinitrophenol
Names & synonyms
91969-13-0NSC127883DTXSID90299062NSC-1278832,4,6-Trinitrophenol--N,N-dimethylprop-2-en-1-amine (1/1)
Database identifiers
- CAS
91969-13-0- PubChem CID
- 278352
- DTXSID
DTXSID90299062
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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