(butylamino)phosphonoyl dichloride

• ChemBase ID: 163486
• Molecular Formular: C4H10Cl2NOP
• Molecular Mass: 190.008061
• Monoisotopic Mass: 188.98770594
• SMILES: N(CCCC)P(=O)(Cl)Cl
• Canonical SMILES: CCCCNP(=O)(Cl)Cl
• InChI: InChI=1S/C4H10Cl2NOP/c1-2-3-4-7-9(5,6)8/h2-4H2,1H3,(H,7,8)
• InChIKey: AUYLTLFJIZSMKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (butylamino)phosphonoyl dichloride
• IUPAC Traditional name: butylaminophosphonoyl dichloride
• Synonyms: Butyl-phosphoramidic dichloride; N-(n-Butyl)-phosphoramidic Dichloride

Database IDs

• CAS Number: 90206-85-2
• PubChem SID: 162257621
• PubChem CID: 20273548

CALCULATED PROPERTIES

• Acid pKa: 8.941146
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4832484
• LogD (pH = 7.4): 1.4724942
• Log P: 1.483388
• Molar Refractivity: 42.101 cm^3
• Polarizability: 16.430967 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Clear Liquid

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - B693640

N-(n-Butyl)phosphoric Triamide (B693650) derivative.