5-Amino-1-methyltetrazole - ≥98% , CAS No.5422-44-6

CAS: 5422-44-6 Cat. No.: A151138 Molecular Weight: 99.1 EC Number: 611-113-5

GRADE & PURITY ≥98%

Synonyms

1-methyl-1H-1,2,3,4-tetrazol-5-amine | 1-methyl-1H-tetrazol-5-amine | 1-Methyl-5-aminotetrazole | 5-Amino-1-methyl-1H-tetrazole | 1-methyltetrazol-5-amine | 1H-Tetrazol-5-amine, 1-methyl- | 1-Methyl-5-amino-1H-tetrazole

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-methyl-1H-1, 2, 3, 4-tetrazol-5-amine | 1-methyl-1H-tetrazol-5-amine | 1-Methyl-5-aminotetrazole | 5-Amino-1-methyl-1H-tetrazole | 1-methyltetrazol-5-amine | 1H-Tetrazol-5-amine, 1-methyl- | 1-Methyl-5-amino-1H-tetrazole

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757162
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757162
• Canonical Smiles: CN1C(=NN=N1)N
• IUPAC Name: 1-methyltetrazol-5-amine
• InChIKey: GTKOKCQMHAGFSM-UHFFFAOYSA-N
• INCHI: 1S/C2H5N5/c1-7-2(3)4-5-6-7/h1H3,(H2,3,4,6)
• Isomeric SMILES: CN1C(=NN=N1)N
• Molecular Weight: 99.1
• Reaxy-Rn: 117683
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Tetrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrazoles. These are organic compounds containing a tetrazole ring, which is a five-member aromatic heterocycle made up of four nitrogen atoms and a one carbon atom.
• 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

• Melt Point(°C): 228 °C
• Molecular Weight: 99.100 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 99.0545 Da
• Monoisotopic Mass: 99.0545 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 63.100
• 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. Zhiyu Jin, Bin Song, Xiang Chen, Lei Shi, Feng Feng Zhao, Pengxiang Gao, chong zhang, Bingcheng Hu.  (2025)  The Effects of Cationic Odd-Even Alkyl Chains on Crystal Structure and Energetic Properties of Cyclo-N5ˉ Salts.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA01668A]