1-Amino-3-methylurea - ≥98% , CAS No.17696-95-6

CAS: 17696-95-6 Cat. No.: A478754 Molecular Weight: 89.10 EC Number: 803-212-9

GRADE & PURITY ≥98%

Synonyms

4-methylsemicarbazide | AKOS009344134 | LHYKTQVFLKHQSR-UHFFFAOYSA-N | DTXSID60292383 | NSC 82194 | FT-0697840 | EN300-54176 | 3-amino-1-methylurea | NSC82194 | NSC-82194 | A50867 | A881485 | 1-amino-3-methylurea | AMY42564 | SB86394 | n-methylhydrazinecar

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-methylsemicarbazide | AKOS009344134 | LHYKTQVFLKHQSR-UHFFFAOYSA-N | DTXSID60292383 | NSC 82194 | FT-0697840 | EN300-54176 | 3-amino-1-methylurea | NSC82194 | NSC-82194 | A50867 | A881485 | 1-amino-3-methylurea | AMY42564 | SB86394 | n-methylhydrazinecar

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CNC(=O)NN
• IUPAC Name: 1-amino-3-methylurea
• InChIKey: LHYKTQVFLKHQSR-UHFFFAOYSA-N
• INCHI: 1S/C2H7N3O/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)
• Isomeric SMILES: CNC(=O)NN
• Molecular Weight: 89.10
• Reaxy-Rn: 1742970
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742970&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Hydrazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Semicarbazides
• Alternative Parents: Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Semicarbazide - Carbonic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as semicarbazides. These are organic compounds containing the semicarbazide functional group with the general structure R1(N)R2NR3C(=O)N(R4)R5 (R1-R5=H, alkyl, aryl), a derivative of urea, where the amine group on one side has been replace by a hydrazine group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 89.100 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 89.0589 Da
• Monoisotopic Mass: 89.0589 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 52.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Wang Jiasheng, Zhang Decheng, Xu Keke, Hui Ni, Wang Dongwei.  (2022)  Electrochemical assay of acetamiprid in vegetables based on nitrogen-doped graphene/polypyrrole nanocomposites.  MICROCHIMICA ACTA,  189  (10): (1-9).  [PMID:36169733] [10.1007/s00604-022-05490-4]