3-bromo-4-(morpholin-4-yl)aniline

• ChemBase ID: 290500
• Molecular Formular: C10H13BrN2O
• Molecular Mass: 257.12702
• Monoisotopic Mass: 256.02112505
• SMILES: Nc1ccc(N2CCOCC2)c(Br)c1
• Canonical SMILES: Nc1ccc(c(c1)Br)N1CCOCC1
• InChI: InChI=1S/C10H13BrN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
• InChIKey: IWWZCFFYGZRVHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-(morpholin-4-yl)aniline
• IUPAC Traditional name: 3-bromo-4-(morpholin-4-yl)aniline
• Synonyms: 3-Bromo-4-morpholinoaniline; (3-bromo-4-morpholin-4-ylphenyl)amine

Database IDs

• CAS Number: 347324-26-9
• MDL Number: MFCD02081966
• PubChem SID: 180676031
• PubChem CID: 675072

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.654887
• LogD (pH = 7.4): 1.8004012
• Log P: 1.8026159
• Molar Refractivity: 61.8843 cm^3
• Polarizability: 22.75553 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%