[4-(4-chlorophenoxy)phenyl]methanamine hydrochloride

• ChemBase ID: 69208
• Molecular Formular: C13H13Cl2NO
• Molecular Mass: 270.15442
• Monoisotopic Mass: 269.0374194
• SMILES: C(N)c1ccc(cc1)Oc1ccc(cc1)Cl.Cl
• Canonical SMILES: NCc1ccc(cc1)Oc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C13H12ClNO.ClH/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12;/h1-8H,9,15H2;1H
• InChIKey: BFQVELFTOFIOEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-chlorophenoxy)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [4-(4-chlorophenoxy)phenyl]methanamine hydrochloride
• Synonyms: (4-(4-Chlorophenoxy)phenyl)-methanamine hydrochloride; [4-(4-Chlorophenoxy)phenyl]methylamine hydrochloride; (4-(4-Chlorophenoxy)phenyl)methanamine hydrochloride

Database IDs

• CAS Number: 262862-71-5
• MDL Number: MFCD02089410
• PubChem SID: 162034937
• PubChem CID: 17749861

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.21755219
• LogD (pH = 7.4): 1.1732023
• Log P: 3.203346
• Molar Refractivity: 65.577 cm^3
• Polarizability: 25.8778 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%