4-methoxynaphthalen-2-amine

• ChemBase ID: 144579
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: COc1cc(cc2c1cccc2)N
• Canonical SMILES: COc1cc(N)cc2c1cccc2
• InChI: InChI=1S/C11H11NO/c1-13-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-7H,12H2,1H3
• InChIKey: SFKZPTYRENGBTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxynaphthalen-2-amine
• IUPAC Traditional name: 4-methoxynaphthalen-2-amine
• Synonyms: 4-Methoxy-2-naphthylamine; 4-甲氧基-2-萘胺

Database IDs

• CAS Number: 2764-95-6
• MDL Number: MFCD00056592
• PubChem SID: 162238791; 24897372
• PubChem CID: 151041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9686273
• LogD (pH = 7.4): 1.9760301
• Log P: 1.9761254
• Molar Refractivity: 53.6718 cm^3
• Polarizability: 21.561827 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥98%
• Empirical Formula (Hill Notation): C11H11NO

DETAILS

Sigma Aldrich - M9894

Packaging
250 mg in glass bottle