Basic information
- CAS
50285-71-7- Standard SMILES
CCN(N=O)C(=O)N(C)C- InChIKey
IQQINRUQUTUNST-UHFFFAOYSA-N- Molecular formula
- C5H11N3O2
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.0851266
Overview
structure given in first source
Names & identifiers
- Preferred name
- N',N'-dimethyl-N-ethyl-N-nitrosourea
- IUPAC
- 1-ethyl-3,3-dimethyl-1-nitrosourea
- English name
- N',N'-dimethyl-N-ethyl-N-nitrosourea
- Molecular formula
- C5H11N3O2
- Molecular weight
- 145.16
Names & synonyms
N',N'-Dimethyl-N-ethyl-N-nitrosourea50285-71-7NitrosoethyldimethylureaNitrosoaethyldimethylharnstoffUrea, N-ethyl-N',N'-dimethyl-N-nitroso-VEF9UBZ3NRDTXSID20198291DMENU compoundRefChem:819823DTXCID501207821-ethyl-3,3-dimethyl-1-nitrosoureaNitrosodimethylethylurea
Show more names
1,1-Dimethyl-3-ethyl-3-nitrosoureaNitroso-1,1-dimethyl-3-ethylurea1-Nitroso-1-ethyl-3,3-dimethylureaUREA, 1,1-DIMETHYL-3-ETHYL-3-NITROSO-N-Ethyl-N',N'-dimethyl-N-nitrosoureaCCRIS 7690N'-N'-Dimethyl-N-ethyl-N-nitrosoureaBRN 2243370
Database identifiers
- CAS
50285-71-7- PubChem CID
- 39588
- DTXSID
DTXSID20198291- UNII
- VEF9UBZ3NR
- Nikkaji
- J59.466K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP0.71
Vapor Pressure0.67 [mmHg]
Physicochemical properties
- Boiling point
- 264.27 °C · 264.27°C (rough estimate)
- Density
- 1.2598 · 1.2598 (rough estimate)
- refractive index
- 1.66 · 1.6600 (estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee NITROSAMINES.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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