4-(aminomethyl)-N,N-dimethylbenzamide

• ChemBase ID: 253527
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: C(=O)(c1ccc(cc1)CN)N(C)C
• Canonical SMILES: NCc1ccc(cc1)C(=O)N(C)C
• InChI: InChI=1S/C10H14N2O/c1-12(2)10(13)9-5-3-8(7-11)4-6-9/h3-6H,7,11H2,1-2H3
• InChIKey: FYWRKAATFPEAEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 164648-76-4
• MDL Number: MFCD07186282
• PubChem SID: 164309437
• PubChem CID: 16227876

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.577895
• LogD (pH = 7.4): -1.5470297
• Log P: 0.3970067
• Molar Refractivity: 53.4032 cm^3
• Polarizability: 20.205082 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.441

Product Information

• Purity: 95%