(5-ethyl-1,3,4-oxadiazol-2-yl)methanamine hydrochloride

• ChemBase ID: 33115
• Molecular Formular: C5H10ClN3O
• Molecular Mass: 163.6054
• Monoisotopic Mass: 163.05123964
• SMILES: n1nc(oc1CN)CC.Cl
• Canonical SMILES: CCc1nnc(o1)CN.Cl
• InChI: InChI=1S/C5H9N3O.ClH/c1-2-4-7-8-5(3-6)9-4;/h2-3,6H2,1H3;1H
• InChIKey: TWXCJSIMFSNTIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-ethyl-1,3,4-oxadiazol-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (5-ethyl-1,3,4-oxadiazol-2-yl)methanamine hydrochloride
• Synonyms: (5-Ethyl-1,3,4-oxadiazol-2-yl)methylamine hydrochloride; (5-ethyl-1,3,4-oxadiazol-2-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD11696372
• PubChem SID: 160996422
• PubChem CID: 44118438

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.698765
• LogD (pH = 7.4): -1.229706
• Log P: -1.022779
• Molar Refractivity: 33.8516 cm^3
• Polarizability: 12.451348 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.656

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%