(2-phenoxyphenyl)methanamine hydrochloride

• ChemBase ID: 69336
• Molecular Formular: C13H14ClNO
• Molecular Mass: 235.70936
• Monoisotopic Mass: 235.07639175
• SMILES: C(N)c1c(cccc1)Oc1ccccc1.Cl
• Canonical SMILES: NCc1ccccc1Oc1ccccc1.Cl
• InChI: InChI=1S/C13H13NO.ClH/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12;/h1-9H,10,14H2;1H
• InChIKey: USRYZTSPSJXQFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-phenoxyphenyl)methanamine hydrochloride
• Synonyms: 1-(2-Phenoxyphenyl)methanamine hydrochloride; 2-(Aminomethyl)diphenyl ether hydrochloride; 2-Phenoxybenzylamine hydrochloride; (2-Phenoxyphenyl)methylamine hydrochloride 97%

Database IDs

• CAS Number: 31963-35-6
• MDL Number: MFCD08271962
• PubChem SID: 162035063
• PubChem CID: 17749840

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3349101
• LogD (pH = 7.4): 0.8872534
• Log P: 2.5993013
• Molar Refractivity: 60.7722 cm^3
• Polarizability: 24.068033 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220-224°C

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Air Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%