2-amino-N,N-bis(prop-2-en-1-yl)acetamide hydrochloride

• ChemBase ID: 48708
• Molecular Formular: C8H15ClN2O
• Molecular Mass: 190.6705
• Monoisotopic Mass: 190.08729079
• SMILES: C(=O)(N(CC=C)CC=C)CN.Cl
• Canonical SMILES: NCC(=O)N(CC=C)CC=C.Cl
• InChI: InChI=1S/C8H14N2O.ClH/c1-3-5-10(6-4-2)8(11)7-9;/h3-4H,1-2,5-7,9H2;1H
• InChIKey: XOGKDPDCVSJYBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-bis(prop-2-en-1-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N,N-bis(prop-2-en-1-yl)acetamide hydrochloride
• Synonyms: N,N-Diallyl-2-aminoacetamide hydrochloride

Database IDs

• MDL Number: MFCD13561976
• PubChem SID: 162053471
• PubChem CID: 17936748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.531995
• LogD (pH = 7.4): -0.84782434
• Log P: -0.044566393
• Molar Refractivity: 45.9444 cm^3
• Polarizability: 17.717405 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false