6-chloro-N,N-bis(prop-2-en-1-yl)pyridin-2-amine

• ChemBase ID: 48681
• Molecular Formular: C11H13ClN2
• Molecular Mass: 208.68732
• Monoisotopic Mass: 208.07672611
• SMILES: n1c(N(CC=C)CC=C)cccc1Cl
• Canonical SMILES: C=CCN(c1cccc(n1)Cl)CC=C
• InChI: InChI=1S/C11H13ClN2/c1-3-8-14(9-4-2)11-7-5-6-10(12)13-11/h3-7H,1-2,8-9H2
• InChIKey: SBGXOEOQIFRMEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-bis(prop-2-en-1-yl)pyridin-2-amine
• IUPAC Traditional name: 6-chloro-N,N-bis(prop-2-en-1-yl)pyridin-2-amine
• Synonyms: N,N-Diallyl-6-chloro-2-pyridinamine

Database IDs

• MDL Number: MFCD13561955
• PubChem SID: 162053444
• PubChem CID: 53410668

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7444265
• LogD (pH = 7.4): 3.7447915
• Log P: 3.7447963
• Molar Refractivity: 62.8347 cm^3
• Polarizability: 23.061903 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false