2-(cyclopropylmethoxy)ethan-1-amine hydrochloride

• ChemBase ID: 272427
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C1CC1COCCN.Cl
• Canonical SMILES: NCCOCC1CC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c7-3-4-8-5-6-1-2-6;/h6H,1-5,7H2;1H
• InChIKey: AFTRMCKIWUIINT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(cyclopropylmethoxy)ethanamine hydrochloride
• Synonyms: 2-(cyclopropylmethoxy)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18380683
• PubChem SID: 164328337
• PubChem CID: 50988737

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8749669
• LogD (pH = 7.4): -1.8993211
• Log P: 0.1081429
• Molar Refractivity: 32.9043 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 0.301

Product Information

• Purity: 95%