(furan-2-ylmethyl)(methyl)amine hydrochloride

• ChemBase ID: 55172
• Molecular Formular: C6H10ClNO
• Molecular Mass: 147.6027
• Monoisotopic Mass: 147.04509163
• SMILES: N(Cc1occc1)C.Cl
• Canonical SMILES: CNCc1ccco1.Cl
• InChI: InChI=1S/C6H9NO.ClH/c1-7-5-6-3-2-4-8-6;/h2-4,7H,5H2,1H3;1H
• InChIKey: WNYQXUZJSSZMOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)(methyl)amine hydrochloride
• IUPAC Traditional name: 2-furanmethanamine, N-methyl- hydrochloride
• Synonyms: N-(2-furylmethyl)-N-methylamine hydrochloride; (2-Furylmethyl)methylamine hydrochloride

Database IDs

• CAS Number: 99839-46-0; 4753-75-7
• MDL Number: MFCD05864734
• PubChem SID: 162059935
• PubChem CID: 17331082

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1283326
• LogD (pH = 7.4): -0.42426437
• Log P: 0.5918413
• Molar Refractivity: 31.6969 cm^3
• Polarizability: 12.395347 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.686

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%