1-(2-methylpropoxy)propan-2-amine hydrochloride

• ChemBase ID: 268512
• Molecular Formular: C7H18ClNO
• Molecular Mass: 167.67692
• Monoisotopic Mass: 167.10769188
• SMILES: O(CC(N)C)CC(C)C.Cl
• Canonical SMILES: CC(COCC(N)C)C.Cl
• InChI: InChI=1S/C7H17NO.ClH/c1-6(2)4-9-5-7(3)8;/h6-7H,4-5,8H2,1-3H3;1H
• InChIKey: UAGHOCCSHBFCAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylpropoxy)propan-2-amine hydrochloride
• IUPAC Traditional name: 1-(2-methylpropoxy)propan-2-amine hydrochloride
• Synonyms: 1-(2-methylpropoxy)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD16622136
• PubChem SID: 164324422
• PubChem CID: 47003338

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0150912
• LogD (pH = 7.4): -1.2270707
• Log P: 0.98844385
• Molar Refractivity: 39.1253 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 1.094

Product Information

• Purity: 95%