1-[2-(dimethylamino)ethyl]-1-methylguanidine hydroiodide

• ChemBase ID: 77435
• Molecular Formular: C6H17IN4
• Molecular Mass: 272.13045
• Monoisotopic Mass: 272.04979456
• SMILES: I.N(CCN(C)C)(C(=N)N)C
• Canonical SMILES: CN(C(=N)N)CCN(C)C.I
• InChI: InChI=1S/C6H16N4.HI/c1-9(2)4-5-10(3)6(7)8;/h4-5H2,1-3H3,(H3,7,8);1H
• InChIKey: AXHOUBAVZCHJKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(dimethylamino)ethyl]-1-methylguanidine hydroiodide
• IUPAC Traditional name: 1-[2-(dimethylamino)ethyl]-1-methylguanidine hydroiodide
• Synonyms: N-[2-(Dimethylamino)ethyl]-N-methylguanidine hydroiodide 90%; N-[2-(dimethylamino)ethyl]-N-methylguanidine hydroiodide

Database IDs

• CAS Number: 849776-24-5
• MDL Number: MFCD06797493
• PubChem SID: 162042307
• PubChem CID: 18525919

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): -5.0896444
• LogD (pH = 7.4): -3.4499648
• Log P: -0.678609
• Molar Refractivity: 53.9472 cm^3
• Polarizability: 16.306374 Å^3
• Polar Surface Area: 56.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4

PROPERTIES

Physical Property

• Melting Point: 107.5-113.5°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%