N-amino-3,4-dichlorobenzene-1-carboximidamide

• ChemBase ID: 278044
• Molecular Formular: C7H7Cl2N3
• Molecular Mass: 204.05658
• Monoisotopic Mass: 203.0017026
• SMILES: C(=N)(c1cc(c(cc1)Cl)Cl)NN
• Canonical SMILES: NNC(=N)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C7H7Cl2N3/c8-5-2-1-4(3-6(5)9)7(10)12-11/h1-3H,11H2,(H2,10,12)
• InChIKey: SBTQMGGODASKEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-amino-3,4-dichlorobenzene-1-carboximidamide
• IUPAC Traditional name: N-amino-3,4-dichlorobenzenecarboximidamide
• Synonyms: N-amino-3,4-dichlorobenzene-1-carboximidamide

Database IDs

• MDL Number: MFCD14651293
• PubChem SID: 164333954
• PubChem CID: 54594812

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.5437058
• LogD (pH = 7.4): -0.16627298
• Log P: 1.8701613
• Molar Refractivity: 72.317 cm^3
• Polarizability: 19.264288 Å^3
• Polar Surface Area: 61.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.593

Product Information

• Purity: 95%