(1-aminopropan-2-yl)(methyl)amine

• ChemBase ID: 273069
• Molecular Formular: C4H12N2
• Molecular Mass: 88.15148
• Monoisotopic Mass: 88.10004839
• SMILES: N(C(CN)C)C
• Canonical SMILES: CC(NC)CN
• InChI: InChI=1S/C4H12N2/c1-4(3-5)6-2/h4,6H,3,5H2,1-2H3
• InChIKey: GINJNNGWMNSBIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-aminopropan-2-yl)(methyl)amine
• IUPAC Traditional name: (1-aminopropan-2-yl)(methyl)amine
• Synonyms: (1-aminopropan-2-yl)(methyl)amine

Database IDs

• MDL Number: MFCD16683330
• PubChem SID: 164328979
• PubChem CID: 15920061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.3933434
• LogD (pH = 7.4): -3.3840988
• Log P: -0.57328725
• Molar Refractivity: 27.062 cm^3
• Polarizability: 11.1656475 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.087

Product Information

• Purity: 95%