N-[2-(dimethylamino)ethyl]-N-methylformamide

• ChemBase ID: 151865
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: CN(C)CCN(C)C=O
• Canonical SMILES: O=CN(CCN(C)C)C
• InChI: InChI=1S/C6H14N2O/c1-7(2)4-5-8(3)6-9/h6H,4-5H2,1-3H3
• InChIKey: CSLBJRKWKVBRSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-N-methylformamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-N-methylformamide
• Synonyms: N-(2-Dimethylaminoethyl)-N-methylformamide; N-(2-二甲氨基乙基)-N-甲基甲酰胺

Database IDs

• CAS Number: 105669-53-2
• MDL Number: MFCD04039895
• PubChem SID: 24880443; 162246011
• PubChem CID: 279482

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.4683812
• LogD (pH = 7.4): -1.7132002
• Log P: -0.6129904
• Molar Refractivity: 37.7879 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 218-219 °C(lit.)
• Flash Point: 158 °F; 70 °C
• Density: 0.936 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4570(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

Product Information

• Purity: 97%
• Linear Formula: (CH3)2NCH2CH2N(CH3)CHO

DETAILS

Sigma Aldrich - 568406

Packaging
1, 5 g in glass bottle