N,N-diethyl-2-methylaniline

• ChemBase ID: 287381
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: Cc1ccccc1N(CC)CC
• Canonical SMILES: CCN(c1ccccc1C)CC
• InChI: InChI=1S/C11H17N/c1-4-12(5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
• InChIKey: YQYUUNRAPYPAPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-methylaniline
• IUPAC Traditional name: N,N-diethyl-2-methylaniline
• Synonyms: N,N-Diethyl-2-methylaniline

Database IDs

• CAS Number: 606-46-2
• MDL Number: MFCD00059227
• PubChem SID: 180672912
• PubChem CID: 69075

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.664802
• LogD (pH = 7.4): 3.2900693
• Log P: 3.308327
• Molar Refractivity: 55.025 cm^3
• Polarizability: 20.649588 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%