2-methylprop-2-en-1-amine

• ChemBase ID: 10416
• Molecular Formular: C4H9N
• Molecular Mass: 71.12096
• Monoisotopic Mass: 71.07349929
• SMILES: C(C(=C)C)N
• Canonical SMILES: CC(=C)CN
• InChI: InChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3
• InChIKey: VXDHQYLFEYUMFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylprop-2-en-1-amine
• IUPAC Traditional name: 2-methylprop-2-en-1-amine
• Synonyms: 2-Methylprop-2-en-1-amine; 2-Methylallylamine

Database IDs

• CAS Number: 2878-14-0
• MDL Number: MFCD00053646
• PubChem SID: 160973723
• PubChem CID: 76141

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6532416
• LogD (pH = 7.4): -1.8519697
• Log P: 0.34915224
• Molar Refractivity: 23.3635 cm^3
• Polarizability: 9.418702 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78°C
• Flash Point: -28°C
• Density: 0.78

Safety Information

• Storage Warning: FLAMMABLE, CORROSIVE; Highly Flammable/Corrosive
• TSCA Listed: false