2-methyl-2H-1,2,3,4-tetrazol-5-amine

• ChemBase ID: 67255
• Molecular Formular: C2H5N5
• Molecular Mass: 99.0946
• Monoisotopic Mass: 99.05449519
• SMILES: n1n(nnc1N)C
• Canonical SMILES: Cn1nnc(n1)N
• InChI: InChI=1S/C2H5N5/c1-7-5-2(3)4-6-7/h1H3,(H2,3,5)
• InChIKey: AZUKLCJYWVMPML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2H-1,2,3,4-tetrazol-5-amine
• IUPAC Traditional name: 2-methyl-1,2,3,4-tetrazol-5-amine
• Synonyms: 2-methyl-2H-1,2,3,4-tetrazol-5-amine; 5-Amino-2-methyl-2H-tetrazole

Database IDs

• CAS Number: 6154-04-7
• MDL Number: MFCD01819831
• PubChem SID: 162032991
• PubChem CID: 138677

CALCULATED PROPERTIES

• Acid pKa: 13.263173
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.29377562
• LogD (pH = 7.4): -0.2937761
• Log P: -0.29377553
• Molar Refractivity: 37.8715 cm^3
• Polarizability: 8.414864 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.644

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%