3-(2,6-dimethylmorpholin-4-yl)propanimidamide hydrochloride

• ChemBase ID: 263717
• Molecular Formular: C9H20ClN3O
• Molecular Mass: 221.7276
• Monoisotopic Mass: 221.12948996
• SMILES: N1(CCC(=N)N)CC(OC(C1)C)C.Cl
• Canonical SMILES: CC1OC(C)CN(C1)CCC(=N)N.Cl
• InChI: InChI=1S/C9H19N3O.ClH/c1-7-5-12(4-3-9(10)11)6-8(2)13-7;/h7-8H,3-6H2,1-2H3,(H3,10,11);1H
• InChIKey: YBWKEKWEKMYXAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,6-dimethylmorpholin-4-yl)propanimidamide hydrochloride
• IUPAC Traditional name: 3-(2,6-dimethylmorpholin-4-yl)propanimidamide hydrochloride
• Synonyms: 3-(2,6-dimethylmorpholin-4-yl)propanimidamide hydrochloride

Database IDs

• MDL Number: MFCD11107361
• PubChem SID: 164319627
• PubChem CID: 45792408

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.4563494
• LogD (pH = 7.4): -2.897605
• Log P: -0.21729933
• Molar Refractivity: 63.1005 cm^3
• Polarizability: 20.6604 Å^3
• Polar Surface Area: 62.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.196

Product Information

• Purity: 95%