2-(tert-butylamino)ethyl 2-methylprop-2-enoate

• ChemBase ID: 109582
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: CC(=C)C(=O)OCCNC(C)(C)C
• Canonical SMILES: CC(=C)C(=O)OCCNC(C)(C)C
• InChI: InChI=1S/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3
• InChIKey: BEWCNXNIQCLWHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate
• Synonyms: tert-BUTYLAMINOETHYL METHACRYLATE; 2-(tert-Butylamino)ethyl methacrylate; 2-(叔丁基氨基)甲基丙烯酸乙酯

Database IDs

• CAS Number: 3775-90-4
• EC Number: 223-228-4
• MDL Number: MFCD00014997
• PubChem SID: 162095246; 24868116
• PubChem CID: 19601

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1839981
• LogD (pH = 7.4): -0.1360302
• Log P: 1.9972814
• Molar Refractivity: 52.9476 cm^3
• Polarizability: 21.196707 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82 °C/10 mmHg(lit.)
• Flash Point: 159.8 °F; 71 °C
• Density: 0.914 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.442(lit.)

Safety Information

• RTECS: OZ3500000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/38-43
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Linear Formula: H2C=C(CH3)CO2CH2CH2NHC(CH3)3

DETAILS

MP Biomedicals - 05211659

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 444332

Packaging
100, 500 mL in poly bottle