bis(carbamimidoyl(ethyl)azanium) sulfate

• ChemBase ID: 295684
• Molecular Formular: C6H18N6O4S
• Molecular Mass: 270.30992
• Monoisotopic Mass: 270.11102409
• SMILES: CC[NH+]C(=N)N.CC[NH+]C(=N)N.[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].CC[NH+]C(=N)N.CC[NH+]C(=N)N
• InChI: InChI=1S/2C3H9N3.H2O4S/c2*1-2-6-3(4)5;1-5(2,3)4/h2*2H2,1H3,(H4,4,5,6);(H2,1,2,3,4)
• InChIKey: UKQVDMIAGTYDFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(carbamimidoyl(ethyl)azanium) sulfate
• IUPAC Traditional name: bis(carbamimidoyl(ethyl)azanium) sulfate
• Synonyms: N-Ethylguanidine sulfate; N-乙基硫酸胍

Database IDs

• CAS Number: 3482-86-8
• EC Number: 222-467-1
• MDL Number: MFCD00013130
• PubChem SID: 180681215
• PubChem CID: 6451562

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -3.0178745
• LogD (pH = 7.4): -3.017388
• Log P: -0.60242164
• Molar Refractivity: 46.7969 cm^3
• Polarizability: 9.588755 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 245°C dec.

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%