4-(dipropylamino)benzaldehyde

• ChemBase ID: 25919
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: c1(N(CCC)CCC)ccc(C=O)cc1
• Canonical SMILES: CCCN(c1ccc(cc1)C=O)CCC
• InChI: InChI=1S/C13H19NO/c1-3-9-14(10-4-2)13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
• InChIKey: HDOZLDYBGNJMMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dipropylamino)benzaldehyde
• IUPAC Traditional name: 4-(dipropylamino)benzaldehyde
• Synonyms: 4-(Dipropylamino)benzaldehyde; 4-Dipropylamino-benzaldehyde

Database IDs

• CAS Number: 613-28-5
• MDL Number: MFCD01014246
• PubChem SID: 160989226
• PubChem CID: 69171

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.495045
• LogD (pH = 7.4): 3.5516806
• Log P: 3.5524528
• Molar Refractivity: 65.6158 cm^3
• Polarizability: 24.424463 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 4.13

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%