bis(2-[3-(morpholin-4-yl)propyl]guanidine); sulfuric acid

• ChemBase ID: 276202
• Molecular Formular: C16H38N8O6S
• Molecular Mass: 470.58792
• Monoisotopic Mass: 470.26350198
• SMILES: S(=O)(=O)(O)O.C(=NCCCN1CCOCC1)(N)N.C(=NCCCN1CCOCC1)(N)N
• Canonical SMILES: OS(=O)(=O)O.NC(=NCCCN1CCOCC1)N.NC(=NCCCN1CCOCC1)N
• InChI: InChI=1S/2C8H18N4O.H2O4S/c2*9-8(10)11-2-1-3-12-4-6-13-7-5-12;1-5(2,3)4/h2*1-7H2,(H4,9,10,11);(H2,1,2,3,4)
• InChIKey: XLSVERXWAZQKGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-[3-(morpholin-4-yl)propyl]guanidine); sulfuric acid
• IUPAC Traditional name: bis(2-[3-(morpholin-4-yl)propyl]guanidine); sulfuric acid
• Synonyms: bis(2-[3-(morpholin-4-yl)propyl]guanidine); sulfuric acid

Database IDs

• MDL Number: MFCD19382074
• PubChem SID: 164332112
• PubChem CID: 54594056

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -5.262064
• LogD (pH = 7.4): -3.7737186
• Log P: -1.1530591
• Molar Refractivity: 52.2996 cm^3
• Polarizability: 19.967813 Å^3
• Polar Surface Area: 76.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): -0.832

Product Information

• Purity: 95%