N-Allyl-2-(allylamino)-5-nitrobenzamide
Basic information
- CAS
868255-06-5- Standard SMILES
C=CCNC(=O)c1cc([N+](=O)[O-])ccc1NCC=C- InChIKey
USFMZIOXHFDGRJ-UHFFFAOYSA-N- Molecular formula
- C13H15N3O3
- Average molar mass
- 261.28 g/mol
- Monoisotopic mass
- 261.11134135
Names & identifiers
- Preferred name
- N-Allyl-2-(allylamino)-5-nitrobenzamide
- IUPAC
- 5-nitro-N-prop-2-enyl-2-(prop-2-enylamino)benzamide
Names & synonyms
AKOS024412082N-ALLYL-2-(ALLYLAMINO)-5-NITROBENZAMIDE
Database identifiers
- CAS
868255-06-5- PubChem CID
- 4086508
- EC Number
- 132-592-2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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