Basic information
- CAS
21561-99-9- Standard SMILES
CN(N=O)C(=O)Nc1ccccc1- InChIKey
GZHRIEZGSLSDRF-UHFFFAOYSA-N- Molecular formula
- C8H9N3O2
- Average molar mass
- 179.18 g/mol
- Monoisotopic mass
- 179.06947654
Overview
structure
Names & identifiers
- Preferred name
- N-methyl-N-nitroso-N'-phenylurea
- IUPAC
- 1-methyl-1-nitroso-3-phenylurea
- English name
- 1-Methyl-1-nitroso-3-phenylurea
- Molecular formula
- C8H9N3O2
- Molecular weight
- 179.18
Names & synonyms
21561-99-9N-Methyl-N'-phenyl-N-nitrosoureaN-Methyl-N-nitroso-N'-phenylureaUrea, 1-methyl-1-nitroso-3-phenyl-Urea, N-methyl-N-nitroso-N'-phenyl-PJ7RR67HJANSC-68456DTXSID201759011-METHYL-3-PHENYL-1-NITROSOUREARefChem:927252DTXCID00983921-Methyl-1-nitroso-3-phenylurea
Show more names
3-Phenyl-1-methyl-1-nitrosoharnstoffMPNUMethylphenylnitrosoureaNitrosomethylphenylureaCCRIS 9191NSC 68456BRN 2806200(Nitrosomethylphenyl)urea
Database identifiers
- CAS
21561-99-9- PubChem CID
- 88945
- DTXSID
DTXSID20175901- UNII
- PJ7RR67HJA
- Nikkaji
- J36.523H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
LogP1.72
Physicochemical properties
- Boiling point
- 311.69 °C · 311.69°C (rough estimate)
- Density
- 1.2896 · 1.2896 (rough estimate)
- refractive index
- 1.74 · 1.7400 (estimate)
- FDA UNII
- 7 RR67HJA · PJ7RR67HJA
Chemistry & industry
Suppliers1 total
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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