N-aminomorpholine-4-carboximidamide hydroiodide

• ChemBase ID: 81421
• Molecular Formular: C5H13IN4O
• Molecular Mass: 272.08739
• Monoisotopic Mass: 272.01340906
• SMILES: N1(C(=N)NN)CCOCC1.I
• Canonical SMILES: NNC(=N)N1CCOCC1.I
• InChI: InChI=1S/C5H12N4O.HI/c6-5(8-7)9-1-3-10-4-2-9;/h1-4,7H2,(H2,6,8);1H
• InChIKey: YXNSDJJTIYZVOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-aminomorpholine-4-carboximidamide hydroiodide
• IUPAC Traditional name: N-aminomorpholine-4-carboximidamide hydroiodide
• Synonyms: morpholine-4-carboximidohydrazide hydroiodide

Database IDs

• MDL Number: MFCD01312289
• PubChem SID: 162068540
• PubChem CID: 9582159

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -3.6054678
• LogD (pH = 7.4): -3.5575929
• Log P: -1.1473963
• Molar Refractivity: 59.9795 cm^3
• Polarizability: 14.377515 Å^3
• Polar Surface Area: 74.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true