[2-(dimethylamino)ethyl](oxolan-2-ylmethyl)amine

• ChemBase ID: 19290
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: O1C(CNCCN(C)C)CCC1
• Canonical SMILES: CN(CCNCC1CCCO1)C
• InChI: InChI=1S/C9H20N2O/c1-11(2)6-5-10-8-9-4-3-7-12-9/h9-10H,3-8H2,1-2H3
• InChIKey: DZWHKPBYGVOUGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](oxolan-2-ylmethyl)amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl](oxolan-2-ylmethyl)amine
• Synonyms: N,N-dimethyl-N'-(tetrahydrofuran-2-ylmethyl)ethane-1,2-diamine; [2-(dimethylamino)ethyl](oxolan-2-ylmethyl)amine; N,N-Dimethyl-N'-(tetrahydro-furan-2-ylmethyl)-ethane-1,2-diamine

Database IDs

• CAS Number: 915921-74-3
• MDL Number: MFCD08059858
• PubChem SID: 160982597
• PubChem CID: 18524092

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0966504
• LogD (pH = 7.4): -1.9145454
• Log P: 0.24435508
• Molar Refractivity: 50.9672 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.7

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%