2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride

• ChemBase ID: 273184
• Molecular Formular: C7H14ClN3O
• Molecular Mass: 191.65856
• Monoisotopic Mass: 191.08253976
• SMILES: c1(nc(no1)C)C(N)C(C)C.Cl
• Canonical SMILES: CC(C(c1onc(n1)C)N)C.Cl
• InChI: InChI=1S/C7H13N3O.ClH/c1-4(2)6(8)7-9-5(3)10-11-7;/h4,6H,8H2,1-3H3;1H
• InChIKey: RPEADHUJCAGMBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride
• IUPAC Traditional name: 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride
• Synonyms: 2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18483282
• PubChem SID: 164329094
• PubChem CID: 54592772

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9924749
• LogD (pH = 7.4): 0.63909763
• Log P: 1.002752
• Molar Refractivity: 42.5884 cm^3
• Polarizability: 16.109344 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): -0.048

Product Information

• Purity: 95%