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

• ChemBase ID: 264870
• Molecular Formular: C12H18ClN3O
• Molecular Mass: 255.74382
• Monoisotopic Mass: 255.11383989
• SMILES: C(=N)(c1ccc(CN2CCOCC2)cc1)N.Cl
• Canonical SMILES: NC(=N)c1ccc(cc1)CN1CCOCC1.Cl
• InChI: InChI=1S/C12H17N3O.ClH/c13-12(14)11-3-1-10(2-4-11)9-15-5-7-16-8-6-15;/h1-4H,5-9H2,(H3,13,14);1H
• InChIKey: XZWUTHGCMHICAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705660
• PubChem SID: 164320780
• PubChem CID: 47002311

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1757941
• LogD (pH = 7.4): -1.9000708
• Log P: 0.6166106
• Molar Refractivity: 75.3477 cm^3
• Polarizability: 24.712765 Å^3
• Polar Surface Area: 62.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.392

Product Information

• Purity: 95%