bis[2-(phenylselanyl)ethyl]amine hydrochloride

• ChemBase ID: 85027
• Molecular Formular: C16H20ClNSe2
• Molecular Mass: 419.7097
• Monoisotopic Mass: 420.96146933
• SMILES: [Se](c1ccccc1)CCNCC[Se]c1ccccc1.Cl
• Canonical SMILES: N(CC[Se]c1ccccc1)CC[Se]c1ccccc1.Cl
• InChI: InChI=1S/C16H19NSe2.ClH/c1-3-7-15(8-4-1)18-13-11-17-12-14-19-16-9-5-2-6-10-16;/h1-10,17H,11-14H2;1H
• InChIKey: KLAFBPSITDBOMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[2-(phenylselanyl)ethyl]amine hydrochloride
• IUPAC Traditional name: bis[2-(phenylselanyl)ethyl]amine hydrochloride
• Synonyms: N,N-di[2-(phenylseleno)ethyl]amine hydrochloride

Database IDs

• MDL Number: MFCD00220656
• PubChem SID: 162072143
• PubChem CID: 2795069

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.3348654
• LogD (pH = 7.4): 2.1186576
• Log P: 2.9207
• Molar Refractivity: 99.4384 cm^3
• Polarizability: 28.349277 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true