bis(2-aminoethyl)[2-(morpholin-4-yl)ethyl]amine

• ChemBase ID: 286407
• Molecular Formular: C10H24N4O
• Molecular Mass: 216.32376
• Monoisotopic Mass: 216.19501141
• SMILES: N1(CCN(CCN)CCN)CCOCC1
• Canonical SMILES: NCCN(CCN1CCOCC1)CCN
• InChI: InChI=1S/C10H24N4O/c11-1-3-13(4-2-12)5-6-14-7-9-15-10-8-14/h1-12H2
• InChIKey: VZADZZMQPMKFFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-aminoethyl)[2-(morpholin-4-yl)ethyl]amine
• IUPAC Traditional name: bis(2-aminoethyl)[2-(morpholin-4-yl)ethyl]amine
• Synonyms: bis(2-aminoethyl)[2-(morpholin-4-yl)ethyl]amine

Database IDs

• MDL Number: MFCD17251481
• PubChem SID: 180671938
• PubChem CID: 62922413

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -9.151004
• LogD (pH = 7.4): -5.656643
• Log P: -1.603654
• Molar Refractivity: 62.9813 cm^3
• Polarizability: 25.219334 Å^3
• Polar Surface Area: 67.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.141

Product Information

• Purity: 95%