Basic information
- CAS
50285-70-6- Standard SMILES
CCN(CC)C(=O)N(CC)N=O- InChIKey
LWOSYGXHFHQJAG-UHFFFAOYSA-N- Molecular formula
- C7H15N3O2
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.11642673
Overview
structure in first source
Names & identifiers
- Preferred name
- Triethylnitrosourea
- IUPAC
- 1,1,3-triethyl-3-nitrosourea
- English name
- triethylnitrosourea
- Molecular formula
- C7H15N3O2
- Molecular weight
- 173.21
Names & synonyms
NitrosotriethylureaTriethylnitrosoureaN-NitrosotriethylureaNitroso-1,3,3-triethylurea50285-70-6NitrosotriaethylharnstoffUREA, 3-NITROSO-1,1,3-TRIETHYL-GW6PK2V794N,N-diethyl-N'-ethyl-N'-nitrosoureaDTXSID60198290RefChem:191545DTXCID90120781
Show more names
3-Nitroso-1,1,3-triethylurea1,3,3-Triethyl-1-nitrosoureaUrea, N,N,N'-triethyl-N'-nitroso-
1,1,3-Triethyl-3-nitrosoureaN,N,N'-TRIETHYL-N'-NITROSOUREACCRIS 6161Urea, triethylnitroso-Nitrosotriaethylharnstoff [German]BRN 2246540UNII-GW6PK2V794LWOSYGXHFHQJAG-UHFFFAOYSA-N
Database identifiers
- CAS
50285-70-6- PubChem CID
- 39587
- DTXSID
DTXSID60198290- UNII
- GW6PK2V794
- Nikkaji
- J2.781B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP1.54
Vapor Pressure0.06 [mmHg]
Physicochemical properties
- Boiling point
- 303.87 °C · 303.87°C (rough estimate)
- Density
- 1.1662 · 1.1662 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- -1 · -1+-.0.70(Predicted)
- FDA UNII
- 6 PK2V794 · GW6PK2V794
- Toxicity
- 150 mg/kg:CAR,REP · TDLo orl-rat: 150 mg/kg:CAR,REP CRNGDP 9,573,88 orl-rat TD:2550 mg/kg/31W-C:ETA,REP JJIND8 65,451,80
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.
Safety data
- Toxicity
- TDLo orl-rat: 150 mg/kg:CAR,REP CRNGDP 9,573,88 orl-rat TD:2550 mg/kg/31W-C:ETA,REP JJIND8 65,451,80
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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