Basic information
- CAS
7476-78-0- Standard SMILES
NCCCCCNC(=O)c1ccccc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
QXNPHMHREGSVOE-UHFFFAOYSA-N- Molecular formula
- C18H21N5O8
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 435.13901265
Names & identifiers
- Preferred name
- N-(5-aminopentyl)benzamide; 2,4,6-trinitrophenol
- IUPAC
- N-(5-aminopentyl)benzamide;2,4,6-trinitrophenol
Names & synonyms
7476-78-0N-(5-aminopentyl)benzamide; 2,4,6-trinitrophenolNSC402960DTXSID00323064NSC-402960N-(5-Aminopentyl)benzamide--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
7476-78-0- PubChem CID
- 345352
- DTXSID
DTXSID00323064
Properties
Computed structural properties
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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