1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1)
Basic information
- CAS
35196-67-9- Standard SMILES
CC1(O)CN(C(C)(C)C)C1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
GRRMSYWTTFAKMG-UHFFFAOYSA-N- Molecular formula
- C14H20N4O8
- Average molar mass
- 372.33 g/mol
- Monoisotopic mass
- 372.12811361
Names & identifiers
- Preferred name
- 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1)
- IUPAC
- 1-tert-butyl-3-methylazetidin-3-ol;2,4,6-trinitrophenol
Names & synonyms
35196-67-91-tert-butyl-3-methylazetidin-3-ol- 2,4,6-trinitrophenol(1:1)NSC150326DTXSID30302342NSC-1503261-tert-Butyl-3-methylazetidin-3-ol--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
35196-67-9- PubChem CID
- 288948
- DTXSID
DTXSID30302342
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 422
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Related reactions
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Compound notes
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