2-(dimethylamino)ethanimidamide dihydrochloride

• ChemBase ID: 264381
• Molecular Formular: C4H13Cl2N3
• Molecular Mass: 174.07212
• Monoisotopic Mass: 173.04865279
• SMILES: C(=N)(CN(C)C)N.Cl.Cl
• Canonical SMILES: CN(CC(=N)N)C.Cl.Cl
• InChI: InChI=1S/C4H11N3.2ClH/c1-7(2)3-4(5)6;;/h3H2,1-2H3,(H3,5,6);2*1H
• InChIKey: GUEVAULORZITRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)ethanimidamide dihydrochloride
• IUPAC Traditional name: 2-(dimethylamino)ethanimidamide dihydrochloride
• Synonyms: 2-(dimethylamino)ethanimidamide dihydrochloride

Database IDs

• MDL Number: MFCD13196324
• PubChem SID: 164320291
• PubChem CID: 45792555

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.53842
• LogD (pH = 7.4): -3.4741163
• Log P: -1.0689616
• Molar Refractivity: 40.489 cm^3
• Polarizability: 11.486269 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.999

Product Information

• Purity: 95%