Cas no 21561-99-9 (Urea,N-methyl-N-nitroso-N'-phenyl-)

Urea,N-methyl-N-nitroso-N'-phenyl- structure
21561-99-9 structure
Product Name:Urea,N-methyl-N-nitroso-N'-phenyl-
CAS No:21561-99-9
MF:C8H9N3O2
MW:179.175961256027
CID:264071
PubChem ID:88945
Update Time:2025-04-19

Urea,N-methyl-N-nitroso-N'-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Urea,N-methyl-N-nitroso-N'-phenyl-
    • 1-METHYL-1-NITROSO-3-PHENYLUREA
    • 1-Methyl-1-nitro-3-phenyl-harnstoff
    • 3-Phenyl-1-methyl-1-nitrosoharnstoff
    • Methylphenylnitrosourea
    • MPNU
    • Nitrosomethylphenylurea
    • N-Methyl-N-nitroso-N'-phenyl-harnstoff
    • N-Methyl-N-nitroso-N'-phenylurea
    • N-methyl-N'-phenyl-N-nitrosourea
    • N-Nitroso-N-methyl-N'-phenylharnstoff
    • Urea,1-methyl-1-nitroso-3-phenyl
    • NSC68456
    • PJ7RR67HJA
    • 1-METHYL-3-PHENYL-1-NITROSOUREA
    • Urea, 1-methyl-1-nitroso-3-phenyl-
    • AKOS006276789
    • 1-methyl-1-nitroso-3-phe-nylurea
    • NSC 68456
    • METHYL-1-NITROSO-3-PHENYLUREA, 1-
    • UNII-PJ7RR67HJA
    • Urea, N-methyl-N-nitroso-N'-phenyl-
    • 3-Phenyl-1-methyl-1-nitrosoharnstoff [German]
    • CCRIS 9191
    • (Nitrosomethylphenyl)urea
    • N-NITROSO-N-METHYL-N'-PHENYLUREA
    • DTXSID20175901
    • NSC-68456
    • 21561-99-9
    • BRN 2806200
    • WLN: ONN1&VMR
    • Inchi： 1S/C8H9N3O2/c1-11(10-13)8(12)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,12)
    • InChI Key： GZHRIEZGSLSDRF-UHFFFAOYSA-N
    • SMILES： O=C(N(C)N=O)NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 179.06900
  • Monoisotopic Mass: 179.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 190
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • Density: 1.2896 (rough estimate)
  • Boiling Point: 311.69°C (rough estimate)
  • Refractive Index: 1.7400 (estimate)
  • PSA: 61.77000
  • LogP: 1.90470

Urea,N-methyl-N-nitroso-N'-phenyl- Customs Data

  • HS CODE：2924299090
  • Customs Data：

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Urea,N-methyl-N-nitroso-N'-phenyl- Related Literature

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