3,5-dimethylmorpholine-4-carboximidamide

• ChemBase ID: 799597
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: C1(COCC(N1C(=N)N)C)C
• Canonical SMILES: CC1COCC(N1C(=N)N)C
• InChI: InChI=1S/C7H15N3O/c1-5-3-11-4-6(2)10(5)7(8)9/h5-6H,3-4H2,1-2H3,(H3,8,9)
• InChIKey: VPWJBKMQOYXAGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylmorpholine-4-carboximidamide
• IUPAC Traditional name: 3,5-dimethylmorpholine-4-carboximidamide
• Synonyms: 3,5-dimethylmorpholine-4-carboximidamide

Database IDs

• CAS Number: 108641-44-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.4980419
• LogD (pH = 7.4): -2.4964125
• Log P: -0.082603954
• Molar Refractivity: 53.8402 cm^3
• Polarizability: 16.603872 Å^3
• Polar Surface Area: 62.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%