methoxy(3-methylbutyl)amine hydrochloride

• ChemBase ID: 239574
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: N(OC)CCC(C)C.Cl
• Canonical SMILES: CONCCC(C)C.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-6(2)4-5-7-8-3;/h6-7H,4-5H2,1-3H3;1H
• InChIKey: BUNVKHAXWDBEHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methoxy(3-methylbutyl)amine hydrochloride
• IUPAC Traditional name: methoxy(3-methylbutyl)amine hydrochloride
• Synonyms: methoxy(3-methylbutyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22378764
• PubChem SID: 164295484
• PubChem CID: 71756438

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1943259
• LogD (pH = 7.4): 1.4671866
• Log P: 1.4720585
• Molar Refractivity: 45.0807 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 1.689

Product Information

• Purity: 95%