Basic information
- CAS
108278-69-9- Standard SMILES
NC(=O)N(CCCCO)N=O- InChIKey
QCWHWSHWDMNXAP-UHFFFAOYSA-N- Molecular formula
- C5H11N3O3
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.08004122
Names & identifiers
- Preferred name
- N-(4-Hydroxybutyl)-N-nitrosourea
- IUPAC
- 1-(4-hydroxybutyl)-1-nitrosourea
- English name
- N-(4-Hydroxybutyl)-N-nitrosourea
- Molecular formula
- C5H11N3O3
- Molecular weight
- 161.16
Names & synonyms
N-(4-Hydroxybutyl)-N-nitrosourea108278-69-91-(4-hydroxybutyl)-1-nitrosoureaCCRIS 1852DTXSID80148474N-(4-hydroxybutyl)-N-nitroso-UreaAKOS006279426Urea, N-(4-hydroxybutyl)-N-nitroso-
Database identifiers
- CAS
108278-69-9- PubChem CID
- 154019
- DTXSID
DTXSID80148474
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 302.2 · 302.2±44.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 12.32 · 12.32±0.50(Predicted)
Chemistry & industry
Suppliers1 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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