(dimethoxyphosphanyl)bis(propan-2-yl)amine

• ChemBase ID: 158181
• Molecular Formular: C8H20NO2P
• Molecular Mass: 193.223661
• Monoisotopic Mass: 193.12316552
• SMILES: CC(C)N(C(C)C)P(OC)OC
• Canonical SMILES: COP(N(C(C)C)C(C)C)OC
• InChI: InChI=1S/C8H20NO2P/c1-7(2)9(8(3)4)12(10-5)11-6/h7-8H,1-6H3
• InChIKey: KXUMNSXPAYCKPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethoxyphosphanyl)bis(propan-2-yl)amine
• IUPAC Traditional name: (dimethoxyphosphanyl)diisopropylamine
• Synonyms: Dimethyl N,N-diisopropylphosphoramidite; N,N-二异丙基亚膦酸二甲酯酰胺

Database IDs

• CAS Number: 122194-07-4
• MDL Number: MFCD00153505
• Beilstein Number: 4242254
• PubChem SID: 162252317; 24845522
• PubChem CID: 5171659

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.991763
• LogD (pH = 7.4): 0.5612667
• Log P: 2.0136
• Molar Refractivity: 53.158 cm^3
• Polarizability: 21.101154 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 54 °C/10 mmHg(lit.)
• Flash Point: 100 °C; 212 °F
• Density: 0.840 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.420(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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC)
• Empirical Formula (Hill Notation): C8H20NO2P

DETAILS

Sigma Aldrich - 03592

Other Notes
Reagent for oligonucleotide synthesis: synthesis of phosphoramidite derivatives1