ethyl(furan-2-ylmethyl)amine hydrochloride

• ChemBase ID: 14859
• Molecular Formular: C7H12ClNO
• Molecular Mass: 161.62928
• Monoisotopic Mass: 161.06074169
• SMILES: c1(ccco1)CNCC.Cl
• Canonical SMILES: CCNCc1ccco1.Cl
• InChI: InChI=1S/C7H11NO.ClH/c1-2-8-6-7-4-3-5-9-7;/h3-5,8H,2,6H2,1H3;1H
• InChIKey: VSVVTOPMSFNWLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(furan-2-ylmethyl)amine hydrochloride
• IUPAC Traditional name: ethyl(furan-2-ylmethyl)amine hydrochloride
• Synonyms: N-(2-furylmethyl)ethanamine hydrochloride; Ethyl-furan-2-ylmethyl-amine hydrochloride

Database IDs

• CAS Number: 14496-33-4
• MDL Number: MFCD01725774
• PubChem SID: 160978166
• PubChem CID: 17331083

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8239583
• LogD (pH = 7.4): -0.13735229
• Log P: 0.9486492
• Molar Refractivity: 36.4455 cm^3
• Polarizability: 14.237624 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.215

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%