3-(dimethylamino)propanimidamide dihydrochloride

• ChemBase ID: 265791
• Molecular Formular: C5H15Cl2N3
• Molecular Mass: 188.0987
• Monoisotopic Mass: 187.06430286
• SMILES: C(=N)(CCN(C)C)N.Cl.Cl
• Canonical SMILES: CN(CCC(=N)N)C.Cl.Cl
• InChI: InChI=1S/C5H13N3.2ClH/c1-8(2)4-3-5(6)7;;/h3-4H2,1-2H3,(H3,6,7);2*1H
• InChIKey: CMWXEVQQWMFRHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)propanimidamide dihydrochloride
• IUPAC Traditional name: 3-(dimethylamino)propanimidamide dihydrochloride
• Synonyms: 3-(dimethylamino)propanimidamide dihydrochloride

Database IDs

• MDL Number: MFCD16547517
• PubChem SID: 164321701
• PubChem CID: 47002520

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.5623736
• LogD (pH = 7.4): -3.8223433
• Log P: -0.83194894
• Molar Refractivity: 45.1884 cm^3
• Polarizability: 13.327975 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): -0.738

Product Information

• Purity: 95%