ethyl 2-[(prop-2-en-1-yl)amino]acetate

• ChemBase ID: 258237
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C(=O)(OCC)CNCC=C
• Canonical SMILES: CCOC(=O)CNCC=C
• InChI: InChI=1S/C7H13NO2/c1-3-5-8-6-7(9)10-4-2/h3,8H,1,4-6H2,2H3
• InChIKey: JZXVIASGAMNRDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[(prop-2-en-1-yl)amino]acetate
• IUPAC Traditional name: ethyl 2-(prop-2-en-1-ylamino)acetate
• Synonyms: ethyl (allylamino)acetate

Database IDs

• MDL Number: MFCD00599116
• PubChem SID: 164314147
• PubChem CID: 10975597

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.005219038
• LogD (pH = 7.4): 0.50683254
• Log P: 0.5190567
• Molar Refractivity: 39.4584 cm^3
• Polarizability: 15.67463 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.896

Product Information

• Purity: 95%