Basic information
- CAS
54986-34-4- Standard SMILES
CCCCCCCN(CCCCCCC)N=O- InChIKey
ZFMMKARRWWPADU-UHFFFAOYSA-N- Molecular formula
- C14H30N2O
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.23581359
Names & identifiers
- Preferred name
- N,N-diheptylnitrous amide
- IUPAC
- N,N-diheptylnitrous amide
- English name
- Diheptylnitrosamine
- Molecular formula
- C14H30N2O
- Molecular weight
- 242.4
Names & synonyms
N,N-diheptylnitrous amide54986-34-4N-Heptyl-N-nitroso-1-heptanamineDiheptylnitrosamineNitrosodiheptylamine1-Heptanamine, N-heptyl-N-nitroso-1,1-Diheptyl-2-oxohydrazine #DTXSID20203516ZFMMKARRWWPADU-UHFFFAOYSA-NQ28529716
Database identifiers
- CAS
54986-34-4- PubChem CID
- 108652
- DTXSID
DTXSID20203516- Nikkaji
- J103.055H
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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