N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide

• ChemBase ID: 110306
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: CN(C)CCCNC(=O)C(=C)C
• Canonical SMILES: CN(CCCNC(=O)C(=C)C)C
• InChI: InChI=1S/C9H18N2O/c1-8(2)9(12)10-6-5-7-11(3)4/h1,5-7H2,2-4H3,(H,10,12)
• InChIKey: GDFCSMCGLZFNFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide
• Synonyms: N-[3-(Dimethylamino)propyl]methacrylamide; 3-DIMETHYLAMINOPROPYL-METHYLACRYLAMIDE; N-(3-(Dimethylamino)propyl)methacrylamide; N-[(3-(二甲氨基)丙基]甲基丙烯酰胺

Database IDs

• CAS Number: 5205-93-6
• EC Number: 226-002-3
• MDL Number: MFCD00038359
• PubChem SID: 24865649; 162090503
• PubChem CID: 78882

CALCULATED PROPERTIES

• Acid pKa: 16.432442
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.900015
• LogD (pH = 7.4): -1.4688107
• Log P: 0.4238355
• Molar Refractivity: 51.2519 cm^3
• Polarizability: 19.800343 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 134 °C/2 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.94 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.479(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36-38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 99%
• Linear Formula: H2C=C(CH3)CONH(CH2)3N(CH3)2

DETAILS

MP Biomedicals - 05214502

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 409472

Packaging
1 L in poly bottle
250 mL in poly bottle