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

• ChemBase ID: 143831
• Molecular Formular: C3H7N5
• Molecular Mass: 113.12118
• Monoisotopic Mass: 113.07014525
• SMILES: CCn1nc(nn1)N
• Canonical SMILES: CCn1nnc(n1)N
• InChI: InChI=1S/C3H7N5/c1-2-8-6-3(4)5-7-8/h2H2,1H3,(H2,4,6)
• InChIKey: SUEIINDYWPMJEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-2H-1,2,3,4-tetrazol-5-amine
• IUPAC Traditional name: 2-ethyl-1,2,3,4-tetrazol-5-amine
• Synonyms: 2-Ethyl-2H-tetrazol-5-amine; 2-ethyl-2H-tetrazol-5-amine

Database IDs

• CAS Number: 95112-14-4
• MDL Number: MFCD05625812
• PubChem SID: 162238048
• PubChem CID: 4274588

CALCULATED PROPERTIES

• Acid pKa: 13.249912
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.063032344
• LogD (pH = 7.4): 0.06303185
• Log P: 0.063032426
• Molar Refractivity: 42.6201 cm^3
• Polarizability: 10.219451 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C3H7N5

DETAILS

Sigma Aldrich - CBR00354

Other Notes
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Legal Information
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