bis(1-[2-(dimethylamino)ethyl]guanidine); sulfuric acid

• ChemBase ID: 276624
• Molecular Formular: C10H30N8O4S
• Molecular Mass: 358.4614
• Monoisotopic Mass: 358.21107248
• SMILES: S(=O)(=O)(O)O.C(=N)(NCCN(C)C)N.C(=N)(NCCN(C)C)N
• Canonical SMILES: OS(=O)(=O)O.CN(CCNC(=N)N)C.CN(CCNC(=N)N)C
• InChI: InChI=1S/2C5H14N4.H2O4S/c2*1-9(2)4-3-8-5(6)7;1-5(2,3)4/h2*3-4H2,1-2H3,(H4,6,7,8);(H2,1,2,3,4)
• InChIKey: RIRMBNJABXHXQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1-[2-(dimethylamino)ethyl]guanidine); sulfuric acid
• IUPAC Traditional name: bis(1-[2-(dimethylamino)ethyl]guanidine); sulfuric acid
• Synonyms: bis(1-[2-(dimethylamino)ethyl]guanidine); sulfuric acid

Database IDs

• MDL Number: MFCD19686245
• PubChem SID: 164332534
• PubChem CID: 54594272

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.9176784
• LogD (pH = 7.4): -3.516876
• Log P: -0.9405851
• Molar Refractivity: 48.6525 cm^3
• Polarizability: 14.466821 Å^3
• Polar Surface Area: 65.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.945

Product Information

• Purity: 95%