2-(2,6-dichlorophenyl)propan-2-amine hydrochloride

• ChemBase ID: 267761
• Molecular Formular: C9H12Cl3N
• Molecular Mass: 240.55728
• Monoisotopic Mass: 239.00353243
• SMILES: c1(C(N)(C)C)c(Cl)cccc1Cl.Cl
• Canonical SMILES: Clc1cccc(c1C(N)(C)C)Cl.Cl
• InChI: InChI=1S/C9H11Cl2N.ClH/c1-9(2,12)8-6(10)4-3-5-7(8)11;/h3-5H,12H2,1-2H3;1H
• InChIKey: ANINNMQZKKXFBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dichlorophenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 2-(2,6-dichlorophenyl)propan-2-amine hydrochloride
• Synonyms: 2-(2,6-dichlorophenyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD16547639
• PubChem SID: 164323671
• PubChem CID: 47003110

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.025432467
• LogD (pH = 7.4): 1.0309452
• Log P: 3.0042553
• Molar Refractivity: 53.198 cm^3
• Polarizability: 21.117474 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 236 - 238°C
• Hydrophobicity(logP): 3.228

Product Information

• Purity: 95%