3-(2-aminoethyl)-N,N-dimethylbenzamide

• ChemBase ID: 279043
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(c1cc(ccc1)CCN)N(C)C
• Canonical SMILES: NCCc1cccc(c1)C(=O)N(C)C
• InChI: InChI=1S/C11H16N2O/c1-13(2)11(14)10-5-3-4-9(8-10)6-7-12/h3-5,8H,6-7,12H2,1-2H3
• InChIKey: USSCVDBASHMYBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminoethyl)-N,N-dimethylbenzamide
• IUPAC Traditional name: 3-(2-aminoethyl)-N,N-dimethylbenzamide
• Synonyms: 3-(2-aminoethyl)-N,N-dimethylbenzamide

Database IDs

• MDL Number: MFCD16806234
• PubChem SID: 164334953
• PubChem CID: 54595109

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3219612
• LogD (pH = 7.4): -1.5854927
• Log P: 0.6856679
• Molar Refractivity: 58.1582 cm^3
• Polarizability: 21.973547 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.102

Product Information

• Purity: 95%