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

• ChemBase ID: 147846
• Molecular Formular: C16H37N2OP
• Molecular Mass: 304.451541
• Monoisotopic Mass: 304.26435044
• SMILES: CC(C)N(C(C)C)P(N(C(C)C)C(C)C)OC(C)(C)C
• Canonical SMILES: CC(N(P(N(C(C)C)C(C)C)OC(C)(C)C)C(C)C)C
• InChI: InChI=1S/C16H37N2OP/c1-12(2)17(13(3)4)20(19-16(9,10)11)18(14(5)6)15(7)8/h12-15H,1-11H3
• InChIKey: PSFUFSJCFKUIIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[bis(propan-2-yl)amino](tert-butoxy)phosphanyl}bis(propan-2-yl)amine
• IUPAC Traditional name: [tert-butoxy(diisopropylamino)phosphanyl]diisopropylamine
• Synonyms: tert-Butyl tetraisopropylphosphorodiamidite; 叔丁基四异丙基磷酸二阿米迪特

Database IDs

• CAS Number: 137348-88-0
• MDL Number: MFCD00674022
• PubChem SID: 162242028; 24868924
• PubChem CID: 4077689

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8107672
• LogD (pH = 7.4): 2.8118896
• Log P: 3.9551
• Molar Refractivity: 92.1449 cm^3
• Polarizability: 36.678314 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67-74 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 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: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Linear Formula: [[(CH3)2CH]2N]2POC(CH3)3

DETAILS

Sigma Aldrich - 454494

Packaging
5 g in glass bottle