2-chloro-N,N-bis(propan-2-yl)propanamide

• ChemBase ID: 251756
• Molecular Formular: C9H18ClNO
• Molecular Mass: 191.69832
• Monoisotopic Mass: 191.10769188
• SMILES: C(=O)(N(C(C)C)C(C)C)C(Cl)C
• Canonical SMILES: CC(C(=O)N(C(C)C)C(C)C)Cl
• InChI: InChI=1S/C9H18ClNO/c1-6(2)11(7(3)4)9(12)8(5)10/h6-8H,1-5H3
• InChIKey: VMGBVCZLORGNTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-bis(propan-2-yl)propanamide
• IUPAC Traditional name: 2-chloro-N,N-diisopropylpropanamide
• Synonyms: 2-chloro-N,N-diisopropylpropanamide

Database IDs

• MDL Number: MFCD09388786
• PubChem SID: 164307666
• PubChem CID: 13345096

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0699377
• LogD (pH = 7.4): 2.0699377
• Log P: 2.0699377
• Molar Refractivity: 51.8412 cm^3
• Polarizability: 20.34735 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.016

Product Information

• Purity: 95%