3-amino-N,N-dipropylbenzamide

• ChemBase ID: 23370
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: C(=O)(c1cc(N)ccc1)N(CCC)CCC
• Canonical SMILES: CCCN(C(=O)c1cccc(c1)N)CCC
• InChI: InChI=1S/C13H20N2O/c1-3-8-15(9-4-2)13(16)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9,14H2,1-2H3
• InChIKey: PNWNMGKRCWKXDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N-dipropylbenzamide
• IUPAC Traditional name: 3-amino-N,N-dipropylbenzamide
• Synonyms: 3-Amino-N,N-dipropylbenzamide

Database IDs

• MDL Number: MFCD09050753
• PubChem SID: 160986677
• PubChem CID: 16778271

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1979284
• LogD (pH = 7.4): 2.2009344
• Log P: 2.200973
• Molar Refractivity: 68.1754 cm^3
• Polarizability: 25.349974 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false