bis(2-[2-(morpholin-4-yl)ethyl]guanidine); sulfuric acid

• ChemBase ID: 276111
• Molecular Formular: C14H34N8O6S
• Molecular Mass: 442.53476
• Monoisotopic Mass: 442.23220185
• SMILES: S(=O)(=O)(O)O.C(=NCCN1CCOCC1)(N)N.C(=NCCN1CCOCC1)(N)N
• Canonical SMILES: OS(=O)(=O)O.NC(=NCCN1CCOCC1)N.NC(=NCCN1CCOCC1)N
• InChI: InChI=1S/2C7H16N4O.H2O4S/c2*8-7(9)10-1-2-11-3-5-12-6-4-11;1-5(2,3)4/h2*1-6H2,(H4,8,9,10);(H2,1,2,3,4)
• InChIKey: IWVDVZWFMWEVAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-[2-(morpholin-4-yl)ethyl]guanidine); sulfuric acid
• IUPAC Traditional name: bis(2-[2-(morpholin-4-yl)ethyl]guanidine); sulfuric acid
• Synonyms: bis(2-[2-(morpholin-4-yl)ethyl]guanidine); sulfuric acid

Database IDs

• MDL Number: MFCD19382042
• PubChem SID: 164332021
• PubChem CID: 54594011

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.318048
• LogD (pH = 7.4): -3.6452715
• Log P: -1.2130189
• Molar Refractivity: 47.4342 cm^3
• Polarizability: 18.133339 Å^3
• Polar Surface Area: 76.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): -0.993

Product Information

• Purity: 95%