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

• ChemBase ID: 48765
• Molecular Formular: C9H17ClN2O
• Molecular Mass: 204.69708
• Monoisotopic Mass: 204.10294085
• SMILES: C(=O)(N(CC=C)CC=C)CNC.Cl
• Canonical SMILES: CNCC(=O)N(CC=C)CC=C.Cl
• InChI: InChI=1S/C9H16N2O.ClH/c1-4-6-11(7-5-2)9(12)8-10-3;/h4-5,10H,1-2,6-8H2,3H3;1H
• InChIKey: KDFHFUKXIXWRRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562022
• PubChem SID: 162053528
• PubChem CID: 53410649

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5874527
• LogD (pH = 7.4): -1.0355202
• Log P: 0.388014
• Molar Refractivity: 50.719 cm^3
• Polarizability: 19.561153 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false