N,N-Bis(4-hydroxybutyl)nitrosamine
Basic information
- CAS
25413-74-5- Standard SMILES
O=NN(CCCCO)CCCCO- InChIKey
RPPBLDOPYFQRQU-UHFFFAOYSA-N- Molecular formula
- C8H18N2O3
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.13174244
Names & identifiers
- Preferred name
- N,N-Bis(4-hydroxybutyl)nitrosamine
- IUPAC
- N,N-bis(4-hydroxybutyl)nitrous amide
Names & synonyms
N,N-Bis(4-hydroxybutyl)nitrosamineN,N-Di(4-hydroxybutyl)nitrosamine1-Butanol, 4,4'-(nitrosimino)bis-UNII-35LE58A79A1-BUTANOL, 4,4'-NITROSIMINODI-25413-74-535LE58A79ALS-46588DTXSID40180077DI(4-HYDROXYBUTYL)NITROSAMINE, N,N-RefChem:161105DTXCID50102568
Show more names
N,N-bis(4-hydroxybutyl)nitrous amideQ27256468
Database identifiers
- CAS
25413-74-5- PubChem CID
- 32966
- DTXSID
DTXSID40180077- UNII
- 35LE58A79A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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