Basic information
- CAS
62970-62-1- Standard SMILES
N#CCCNC(=O)CCC(=O)NNc1ccccc1- InChIKey
DWMGLKHRUKRNSJ-UHFFFAOYSA-N- Molecular formula
- C13H16N4O2
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.12732577
Names & identifiers
- Preferred name
- Butanoic acid, 4-((2-cyanoethyl)amino)-4-oxo-, 2-phenylhydrazide
- IUPAC
- N-(2-cyanoethyl)-4-oxo-4-(2-phenylhydrazinyl)butanamide
Names & synonyms
BRN 0925646BUTANOIC ACID, 4-((2-CYANOETHYL)AMINO)-4-OXO-, 2-PHENYLHYDRAZIDE62970-62-14-((2-Cyanoethyl)amino)-4-oxobutanoic acid 2-phenylhydrazideDTXSID30212174RefChem:330817DTXCID30134665N-(2-Cyanoethyl)-4-oxo-4-(2-phenylhydrazin-1-yl)butanamide
Database identifiers
- CAS
62970-62-1- PubChem CID
- 44232
- DTXSID
DTXSID30212174
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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