2-ethoxybutan-1-amine hydrochloride

• ChemBase ID: 144364
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: CCC(CN)OCC.Cl
• Canonical SMILES: CCOC(CN)CC.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-3-6(5-7)8-4-2;/h6H,3-5,7H2,1-2H3;1H
• InChIKey: HCRHVEMBASIYCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxybutan-1-amine hydrochloride
• IUPAC Traditional name: 2-ethoxybutan-1-amine hydrochloride
• Synonyms: (2-Ethoxybutyl)amine monohydrochloride

Database IDs

• MDL Number: MFCD18428114
• PubChem SID: 162238579
• PubChem CID: 53398977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3635116
• LogD (pH = 7.4): -1.4170684
• Log P: 0.623471
• Molar Refractivity: 34.6537 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H16ClNO

DETAILS

Sigma Aldrich - CBR01063

Other Notes
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Legal Information
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