[(4-methoxyphenyl)methyl](methyl)amine hydrochloride

• ChemBase ID: 66352
• Molecular Formular: C9H14ClNO
• Molecular Mass: 187.66656
• Monoisotopic Mass: 187.07639175
• SMILES: N(Cc1ccc(cc1)OC)C.Cl
• Canonical SMILES: CNCc1ccc(cc1)OC.Cl
• InChI: InChI=1S/C9H13NO.ClH/c1-10-7-8-3-5-9(11-2)6-4-8;/h3-6,10H,7H2,1-2H3;1H
• InChIKey: NNANAKYVZOHKHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxyphenyl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(4-methoxyphenyl)methyl](methyl)amine hydrochloride
• Synonyms: 4-Methoxy-N-methylbenzylamine hydrochloride 95%; 4-Methoxy-N-methylbenzylamine hydrochloride

Database IDs

• CAS Number: 876-32-4
• MDL Number: MFCD04117881
• PubChem SID: 162032090
• PubChem CID: 17292353

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8112401
• LogD (pH = 7.4): -0.7874209
• Log P: 1.3739234
• Molar Refractivity: 45.7692 cm^3
• Polarizability: 18.066713 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 95+%