Basic information
- CAS
26457-81-8- Standard SMILES
C#CCN(CC#C)N=O- InChIKey
DGPMVVLTZSLVPR-UHFFFAOYSA-N- Molecular formula
- C6H6N2O
- Average molar mass
- 122.12 g/mol
- Monoisotopic mass
- 122.04801282
Names & identifiers
- Preferred name
- DI-2-Propynylamine, N-nitroso-
- IUPAC
- N,N-bis(prop-2-ynyl)nitrous amide
Names & synonyms
DI-2-PROPYNYLAMINE, N-NITROSO-26457-81-8N,N-di(Prop-2-yn-1-yl)nitrous amideDi-2-propynylnitrosamineDipropargylnitrosamineN-NitrosodipropargylamineBRN 19252012-Propyn-1-amine, N-nitroso-N-2-propynyl-DTXSID40181049
Database identifiers
- CAS
26457-81-8- PubChem CID
- 33516
- DTXSID
DTXSID40181049- Nikkaji
- J87.545G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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