4-(morpholin-4-yl)benzene-1-carboximidamide hydrochloride

• ChemBase ID: 288981
• Molecular Formular: C11H16ClN3O
• Molecular Mass: 241.71724
• Monoisotopic Mass: 241.09818983
• SMILES: N=C(c1ccc(N2CCOCC2)cc1)N.Cl
• Canonical SMILES: NC(=N)c1ccc(cc1)N1CCOCC1.Cl
• InChI: InChI=1S/C11H15N3O.ClH/c12-11(13)9-1-3-10(4-2-9)14-5-7-15-8-6-14;/h1-4H,5-8H2,(H3,12,13);1H
• InChIKey: GRUXDNFJXQHUDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)benzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-(morpholin-4-yl)benzenecarboximidamide hydrochloride
• Synonyms: 4-(Morpholin-4-yl)benzene-1-carboximidamide hydrochloride

Database IDs

• CAS Number: 1267093-87-7
• PubChem SID: 180674512
• PubChem CID: 57345865

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.63219
• LogD (pH = 7.4): -1.6312958
• Log P: 0.7832577
• Molar Refractivity: 71.2336 cm^3
• Polarizability: 22.486332 Å^3
• Polar Surface Area: 62.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 96%