Basic information
- CAS
7462-92-2- Standard SMILES
CN(C)CCO.O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
ZXFKSNPLBNJGRI-UHFFFAOYSA-N- Molecular formula
- C11H15N3O7
- Average molar mass
- 301.25 g/mol
- Monoisotopic mass
- 301.09099983
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethanol;3,5-dinitrobenzoic acid
- IUPAC
- 2-(dimethylamino)ethanol;3,5-dinitrobenzoic acid
Names & synonyms
7462-92-2NSC402187DTXSID50322860NSC-4021873,5-Dinitrobenzoic acid--2-(dimethylamino)ethan-1-ol (1/1)
Database identifiers
- CAS
7462-92-2- PubChem CID
- 344993
- DTXSID
DTXSID50322860
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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