4-(aminomethyl)-N,N-dipropylbenzamide

• ChemBase ID: 257063
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: C(=O)(c1ccc(cc1)CN)N(CCC)CCC
• Canonical SMILES: CCCN(C(=O)c1ccc(cc1)CN)CCC
• InChI: InChI=1S/C14H22N2O/c1-3-9-16(10-4-2)14(17)13-7-5-12(11-15)6-8-13/h5-8H,3-4,9-11,15H2,1-2H3
• InChIKey: ZVYHOUFVXSGDFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(aminomethyl)-N,N-dipropylbenzamide
• IUPAC Traditional name: 4-(aminomethyl)-N,N-dipropylbenzamide
• Synonyms: 4-(aminomethyl)-N,N-dipropylbenzamide

Database IDs

• MDL Number: MFCD08442235
• PubChem SID: 164312973
• PubChem CID: 16769080

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.81916326
• LogD (pH = 7.4): 0.21215571
• Log P: 2.1556673
• Molar Refractivity: 71.9484 cm^3
• Polarizability: 27.58185 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.675

Product Information

• Purity: 95%