dimethyl(prop-2-en-1-yl)amine

• ChemBase ID: 110295
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: CN(C)CC=C
• Canonical SMILES: C=CCN(C)C
• InChI: InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3
• InChIKey: GBCKRQRXNXQQPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(prop-2-en-1-yl)amine
• IUPAC Traditional name: dimethyl(prop-2-en-1-yl)amine
• Synonyms: ALLYLDIMETHYLAMINE

Database IDs

• CAS Number: 2155-94-4
• EC Number: 218-458-7
• PubChem SID: 162096453
• PubChem CID: 75082

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.302409
• LogD (pH = 7.4): -0.7315492
• Log P: 0.92141926
• Molar Refractivity: 29.1508 cm^3
• Polarizability: 11.2655945 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.914 g/ml

Safety Information

• European Hazard Symbols: Corrosive (C)
• Risk Statements: R:34
• Safety Statements: S:26-27/28-36/37/39-46-64

DETAILS

MP Biomedicals - 05214464

MP Biomedicals Rare Chemical collection