(4-fluoro-2-methoxyphenyl)methanamine hydrochloride

• ChemBase ID: 297762
• Molecular Formular: C8H11ClFNO
• Molecular Mass: 191.6304432
• Monoisotopic Mass: 191.05131988
• SMILES: COc1cc(ccc1CN)F.Cl
• Canonical SMILES: COc1cc(F)ccc1CN.Cl
• InChI: InChI=1S/C8H10FNO.ClH/c1-11-8-4-7(9)3-2-6(8)5-10;/h2-4H,5,10H2,1H3;1H
• InChIKey: GLKUYMNEPUILTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluoro-2-methoxyphenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-fluoro-2-methoxyphenyl)methanamine hydrochloride
• Synonyms: 4-Fluoro-2-methoxybenzylamine hydrochloride; 4-氟-2-甲氧基苄胺盐酸盐

Database IDs

• MDL Number: MFCD04116342
• PubChem SID: 180683293
• PubChem CID: 21069912

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7925489
• LogD (pH = 7.4): -0.41235647
• Log P: 1.0840449
• Molar Refractivity: 41.211 cm^3
• Polarizability: 15.874081 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%