2-aminoethyl 2-methylprop-2-enoate hydrochloride

• ChemBase ID: 148838
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: CC(=C)C(=O)OCCN.Cl
• Canonical SMILES: CC(=C)C(=O)OCCN.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H
• InChIKey: XSHISXQEKIKSGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoethyl 2-methylprop-2-enoate hydrochloride
• IUPAC Traditional name: 2-aminoethyl 2-methylprop-2-enoate hydrochloride
• Synonyms: 2-Aminoethyl methacrylate hydrochloride; 2-AMinoethyl Methacrylate hydrochloride; 2-氨基乙基甲基丙烯酸酯 盐酸盐

Database IDs

• CAS Number: 2420-94-2
• EC Number: 219-343-4
• MDL Number: MFCD00078260
• PubChem SID: 162243011; 24873869
• PubChem CID: 75495

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4422538
• LogD (pH = 7.4): -1.2955302
• Log P: 0.51074135
• Molar Refractivity: 34.3674 cm^3
• Polarizability: 13.836842 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-110 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%; 97%
• Contains: ~500 ppm phenothiazine as stabilizer
• Linear Formula: H2C=C(CH3)CO2CH2CH2NH2 · HCl

DETAILS

Sigma Aldrich - 516155

Packaging
25 g in poly bottle
5 g in glass bottle