{4-[(diethylamino)methyl]phenyl}methanamine

• ChemBase ID: 250234
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: N(Cc1ccc(cc1)CN)(CC)CC
• Canonical SMILES: CCN(Cc1ccc(cc1)CN)CC
• InChI: InChI=1S/C12H20N2/c1-3-14(4-2)10-12-7-5-11(9-13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
• InChIKey: UYVJKNXIPRXTID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(diethylamino)methyl]phenyl}methanamine
• IUPAC Traditional name: {4-[(diethylamino)methyl]phenyl}methanamine
• Synonyms: N-[4-(aminomethyl)benzyl]-N,N-diethylamine

Database IDs

• CAS Number: 84227-70-3
• MDL Number: MFCD07343995
• PubChem SID: 164306144
• PubChem CID: 7130831

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.603467
• LogD (pH = 7.4): -2.3394692
• Log P: 1.7540269
• Molar Refractivity: 62.5713 cm^3
• Polarizability: 24.492739 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.986

Product Information

• Purity: 95%