N-(2-Hydroxyethyl)-N-nitrosourea
Basic information
- CAS
13743-07-2- Standard SMILES
NC(=O)N(CCO)N=O- InChIKey
IVEXWRHLJIZLHF-UHFFFAOYSA-N- Molecular formula
- C3H7N3O3
- Average molar mass
- 133.11 g/mol
- Monoisotopic mass
- 133.04874109
Overview
structure
Names & identifiers
- Preferred name
- N-(2-Hydroxyethyl)-N-nitrosourea
- IUPAC
- 1-(2-hydroxyethyl)-1-nitrosourea
- English name
- 1-(2-hydroxyethyl)-1-nitrosourea
- Molecular formula
- C3H7N3O3
- Molecular weight
- 133.11
Names & synonyms
1-(2-Hydroxyethyl)-1-nitrosourea13743-07-2HENUHydroxyethylnitrosoureaN-(2-Hydroxyethyl)-N-nitrosourea1-Nitroso-1-(2-hydroxyethyl)ureaAFH8YZH5PMUrea, 1-(2-hydroxyethyl)-1-nitroso-DTXSID1020726N-nitroso-N-(2-hydroxyethyl)ureaRefChem:74171DTXCID90726
Show more names
HNUHOEtNUN-NITROSO-2-HYDROXYETHYLUREAUrea, N-(2-hydroxyethyl)-N-nitroso-
3-(2-hydroxyethyl)-3-nitrosoureaN-Nitrosohydroxyethylurea2-HydroxyethylnitrosoureaNitroso-2-hydroxyethylureaN-Hydroxyethyl-N-nitrosoureaCCRIS 1850BRN 2246260Urea,N-(2-hydroxyethyl)-N-nitroso-
Database identifiers
- CAS
13743-07-2- PubChem CID
- 83695
- DTXSID
DTXSID1020726- ChEMBL
CHEMBL267565- UNII
- AFH8YZH5PM
- Nikkaji
- J3.441J
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Physicochemical properties
- Boiling point
- 245.59 °C · 245.59°C (rough estimate)
- Density
- 1.5468 · 1.5468 (rough estimate)
- refractive index
- 1.49 · 1.4900 (estimate)
- pka
- 12.12 · 12.12±0.50(Predicted)
- FDA UNII
- 8 YZH5PM · AFH8YZH5PM
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 SummaryIntraperitoneal LD50 (rat) = 120 mg/kg; Carcinogenic effects observed in rodents; [RTECS] See N-Nitroso-N-methylurea. See NITROSAMINES.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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