6-chloro-1-N-ethylbenzene-1,2-diamine

• ChemBase ID: 260233
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: c1(c(N)cccc1Cl)NCC
• Canonical SMILES: CCNc1c(N)cccc1Cl
• InChI: InChI=1S/C8H11ClN2/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5,11H,2,10H2,1H3
• InChIKey: DMKGTHHNQLFHEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-1-N-ethylbenzene-1,2-diamine
• IUPAC Traditional name: 6-chloro-1-N-ethylbenzene-1,2-diamine
• Synonyms: 6-chloro-1-N-ethylbenzene-1,2-diamine

Database IDs

• MDL Number: MFCD11186958
• PubChem SID: 164316143
• PubChem CID: 28902383

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5620915
• LogD (pH = 7.4): 1.5777473
• Log P: 1.5779506
• Molar Refractivity: 50.5056 cm^3
• Polarizability: 18.158651 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.042

Product Information

• Purity: 95%