4-(benzyloxy)aniline

• ChemBase ID: 16175
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: O(c1ccc(N)cc1)Cc1ccccc1
• Canonical SMILES: Nc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C13H13NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10,14H2
• InChIKey: FIIDVVUUWRJXLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)aniline
• IUPAC Traditional name: aniline, p-benzyloxy-
• Synonyms: 4-Benzyloxyaniline; 4-(Benzyloxy)aniline; p-BENZYLOXYANILINE

Database IDs

• CAS Number: 6373-46-2
• MDL Number: MFCD00025318
• PubChem SID: 160979482
• PubChem CID: 22860

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5816996
• LogD (pH = 7.4): 2.709224
• Log P: 2.7111218
• Molar Refractivity: 61.8342 cm^3
• Polarizability: 23.604925 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-46°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05206668

MP Biomedicals Rare Chemical collection