5-(2-methoxyethyl)-1H-1,2,3,4-tetrazole

• ChemBase ID: 308905
• Molecular Formular: C4H8N4O
• Molecular Mass: 128.13252
• Monoisotopic Mass: 128.0698109
• SMILES: n1n[nH]c(n1)CCOC
• Canonical SMILES: COCCc1nnn[nH]1
• InChI: InChI=1S/C4H8N4O/c1-9-3-2-4-5-7-8-6-4/h2-3H2,1H3,(H,5,6,7,8)
• InChIKey: UCWIZNWZRQEACB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxyethyl)-1H-1,2,3,4-tetrazole
• IUPAC Traditional name: 5-(2-methoxyethyl)-1H-1,2,3,4-tetrazole
• Synonyms: 5-(2-methoxyethyl)-1H-tetrazole

Database IDs

• CAS Number: 117889-08-4
• MDL Number: MFCD11155998

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2226287
• LogD (pH = 7.4): -2.1421647
• Log P: -0.58500844
• Molar Refractivity: 33.9121 cm^3
• Polarizability: 11.6392765 Å^3
• Polar Surface Area: 63.69 Å^2