1,3-dimethyl-2-phenyl-1,3,2-diazaphospholidine

• ChemBase ID: 132548
• Molecular Formular: C10H15N2P
• Molecular Mass: 194.213261
• Monoisotopic Mass: 194.09728512
• SMILES: CN1CCN(P1c1ccccc1)C
• Canonical SMILES: CN1CCN(P1c1ccccc1)C
• InChI: InChI=1S/C10H15N2P/c1-11-8-9-12(2)13(11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
• InChIKey: CYKFZCQRONDMOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-2-phenyl-1,3,2-diazaphospholidine
• IUPAC Traditional name: 1,3-dimethyl-2-phenyl-1,3,2-diazaphospholidine
• Synonyms: 1,3-Dimethyl-2-phenyl-1,3,2-diazaphospholidine; 1,3-二甲基-2-苯基-2-磷杂咪唑烷

Database IDs

• CAS Number: 22429-12-5
• MDL Number: MFCD00043134
• Beilstein Number: 1073962
• PubChem SID: 162226825
• PubChem CID: 320708

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.48267063
• LogD (pH = 7.4): 1.2645423
• Log P: 1.3008
• Molar Refractivity: 56.4921 cm^3
• Polarizability: 22.749418 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95 °C/0.7 mmHg(lit.)
• Flash Point: 105 °C; 221 °F
• Density: 1.054 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.565(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

DETAILS

Sigma Aldrich - D0413

Application
用于由 1,2-二醇立体定向合成烯烃的试剂。