2-methoxy-1-(pyridin-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 144375
• Molecular Formular: C8H13ClN2O
• Molecular Mass: 188.65462
• Monoisotopic Mass: 188.07164073
• SMILES: COCC(c1ccccn1)N.Cl
• Canonical SMILES: COCC(c1ccccn1)N.Cl
• InChI: InChI=1S/C8H12N2O.ClH/c1-11-6-7(9)8-4-2-3-5-10-8;/h2-5,7H,6,9H2,1H3;1H
• InChIKey: LFQPQRBPIFHJHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-1-(pyridin-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-methoxy-1-(pyridin-2-yl)ethanamine hydrochloride
• Synonyms: (2-Methoxy-1-pyridin-2-ylethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD18428102
• PubChem SID: 162238590
• PubChem CID: 53398961

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3449152
• LogD (pH = 7.4): -0.65824795
• Log P: 0.12779449
• Molar Refractivity: 42.6411 cm^3
• Polarizability: 17.167297 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H13ClN2O

DETAILS

Sigma Aldrich - CBR01032

Analysis Note
may contain up to 2 eq HCl
Other Notes
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Legal Information
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