3-(2-methylpropoxy)propan-1-amine

• ChemBase ID: 250097
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: NCCCOCC(C)C
• Canonical SMILES: NCCCOCC(C)C
• InChI: InChI=1S/C7H17NO/c1-7(2)6-9-5-3-4-8/h7H,3-6,8H2,1-2H3
• InChIKey: REJGIEGOYWEWPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylpropoxy)propan-1-amine
• IUPAC Traditional name: 3-(2-methylpropoxy)propan-1-amine
• Synonyms: 3-isobutoxypropan-1-amine

Database IDs

• CAS Number: 32923-88-9
• MDL Number: MFCD00025618
• PubChem SID: 164306007
• PubChem CID: 98668

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3906314
• LogD (pH = 7.4): -1.9285673
• Log P: 0.63182855
• Molar Refractivity: 39.5719 cm^3
• Polarizability: 15.844791 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 1.112

Product Information

• Purity: 95%