4-(dimethylamino)benzene-1-carboximidamide

• ChemBase ID: 289054
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: N=C(N)c1ccc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cc1)C(=N)N)C
• InChI: InChI=1S/C9H13N3/c1-12(2)8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3,(H3,10,11)
• InChIKey: XHJCKJBROOJCHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 55978-60-4
• PubChem SID: 180674585
• PubChem CID: 3277703

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: 95+%; 97%