N,N-bis(propan-2-yl)formamide

• ChemBase ID: 109153
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: CC(C)N(C=O)C(C)C
• Canonical SMILES: O=CN(C(C)C)C(C)C
• InChI: InChI=1S/C7H15NO/c1-6(2)8(5-9)7(3)4/h5-7H,1-4H3
• InChIKey: UNBDDZDKBWPHAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(propan-2-yl)formamide
• IUPAC Traditional name: N,N-diisopropylformamide
• Synonyms: N,N-Diisopropylformamide; N,N-DIISOPROPYLFORMAMIDE; N,N-二异丙基甲酰胺

Database IDs

• CAS Number: 2700-30-3
• EC Number: 220-284-1
• MDL Number: MFCD00008867
• Beilstein Number: 1745406
• PubChem SID: 24853553; 162094906
• PubChem CID: 75912

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9151309
• LogD (pH = 7.4): 0.91513103
• Log P: 0.91513103
• Molar Refractivity: 38.1036 cm^3
• Polarizability: 14.829458 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 10-11 °C(lit.); 10-11°C
• Boiling Point: 195-196°C; 196 °C(lit.)
• Flash Point: 167 °F; 75 °C; 75°C(167°F)
• Density: 0.889; 0.89 g/mL at 25 °C(lit.)
• Refractive Index: 1.4370; n20/D 1.437; n20/D 1.437(lit.)
• Transition Temperature: solidification point 11-14 °C

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: HCON[CH(CH3)2]2

DETAILS

MP Biomedicals - 05210046

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 226254

Packaging
5 g in glass bottle

Sigma Aldrich - 38401

Other Notes
Intermediate for the synthesis of highly branched aliphatic compounds1