3-[Nitroso(propyl)amino]propyl acetate
Basic information
- CAS
73622-66-9- Standard SMILES
CCCN(CCCOC(C)=O)N=O- InChIKey
PUEJDKFSBWUOJY-UHFFFAOYSA-N- Molecular formula
- C8H16N2O3
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.11609237
Names & identifiers
- Preferred name
- 3-[Nitroso(propyl)amino]propyl acetate
- IUPAC
- 3-[nitroso(propyl)amino]propyl acetate
Names & synonyms
73622-66-93-[nitroso(propyl)amino]propyl acetate1-Propanol, 3-(nitrosopropylamino)-, acetate (ester)DTXSID40994414
Database identifiers
- CAS
73622-66-9- PubChem CID
- 156013
- DTXSID
DTXSID40994414
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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