{[bis(propan-2-yl)amino](methoxy)phosphanyl}bis(propan-2-yl)amine

• ChemBase ID: 149564
• Molecular Formular: C13H31N2OP
• Molecular Mass: 262.371801
• Monoisotopic Mass: 262.21740025
• SMILES: CC(C)N(C(C)C)P(N(C(C)C)C(C)C)OC
• Canonical SMILES: COP(N(C(C)C)C(C)C)N(C(C)C)C(C)C
• InChI: InChI=1S/C13H31N2OP/c1-10(2)14(11(3)4)17(16-9)15(12(5)6)13(7)8/h10-13H,1-9H3
• InChIKey: YFYBXOIQXOOUCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[bis(propan-2-yl)amino](methoxy)phosphanyl}bis(propan-2-yl)amine
• IUPAC Traditional name: [(diisopropylamino)(methoxy)phosphanyl]diisopropylamine
• Synonyms: Bis(diisopropylamino)methoxyphosphine;; Methyl N,N,N′,N′-tetraisopropylphosphorodiamidite; 甲基 N,N,N′,N′-四异丙基阿米迪特

Database IDs

• CAS Number: 92611-10-4
• MDL Number: MFCD00451020
• Beilstein Number: 4291461
• PubChem SID: 162243729; 24864467
• PubChem CID: 736310

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7444873
• LogD (pH = 7.4): 1.7625148
• Log P: 3.1213
• Molar Refractivity: 78.3393 cm^3
• Polarizability: 31.144346 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 74-75 °C/0.45 mmHg(lit.)
• Flash Point: 188.6 °F; 87 °C
• Density: 0.915 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.461; n20/D 1.461(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 14-36/37/38
• Safety Statements: 7-26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥95.0% (GC); 97%
• Grade: purum
• Linear Formula: [[(CH3)2CH]2N]2POCH3

DETAILS

Sigma Aldrich - 392561

Packaging
5 g in glass bottle