4-(dimethylamino)benzene-1-carboximidamide dihydrochloride

• ChemBase ID: 797881
• Molecular Formular: C9H15Cl2N3
• Molecular Mass: 236.1415
• Monoisotopic Mass: 235.06430286
• SMILES: Cl.Cl.c1(ccc(cc1)N(C)C)C(=N)N
• Canonical SMILES: CN(c1ccc(cc1)C(=N)N)C.Cl.Cl
• InChI: InChI=1S/C9H13N3.2ClH/c1-12(2)8-5-3-7(4-6-8)9(10)11;;/h3-6H,1-2H3,(H3,10,11);2*1H
• InChIKey: QVWJLPLJSLCQMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethylamino)benzene-1-carboximidamide dihydrochloride
• IUPAC Traditional name: 4-(dimethylamino)benzenecarboximidamide dihydrochloride
• Synonyms: 4-Dimethylamino-benzamidine dihydrochloride

Database IDs

• CAS Number: 180507-22-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4146975
• LogD (pH = 7.4): -1.4128628
• Log P: 1.0017581
• Molar Refractivity: 62.1591 cm^3
• Polarizability: 18.844849 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%