N-(3-methoxypropyl)prop-2-enamide

• ChemBase ID: 144200
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: COCCCNC(=O)C=C
• Canonical SMILES: COCCCNC(=O)C=C
• InChI: InChI=1S/C7H13NO2/c1-3-7(9)8-5-4-6-10-2/h3H,1,4-6H2,2H3,(H,8,9)
• InChIKey: RWJGITGQDQSWJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)prop-2-enamide
• IUPAC Traditional name: N-(3-methoxypropyl)prop-2-enamide
• Synonyms: MPAM; NMPA; N-(3-Methoxypropyl)acrylamide; N-（3-甲氧基丙基）丙烯酰胺

Database IDs

• CAS Number: 107374-86-7
• MDL Number: MFCD00085278
• PubChem SID: 162238417
• PubChem CID: 10290850

CALCULATED PROPERTIES

• Acid pKa: 16.137478
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.03738148
• LogD (pH = 7.4): -0.037335612
• Log P: -0.037335023
• Molar Refractivity: 39.9192 cm^3
• Polarizability: 15.291478 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.023 g/mL at 25 °C
• Refractive Index: n20/D 1.475

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Contains: MEHQ as inhibitor
• Empirical Formula (Hill Notation): C7H13NO2

DETAILS

Sigma Aldrich - 730149

Packaging
25 g in glass bottle