ethyl(2-methylprop-2-en-1-yl)amine

• ChemBase ID: 137602
• Molecular Formular: C6H13N
• Molecular Mass: 99.17412
• Monoisotopic Mass: 99.10479942
• SMILES: CCNCC(=C)C
• Canonical SMILES: CCNCC(=C)C
• InChI: InChI=1S/C6H13N/c1-4-7-5-6(2)3/h7H,2,4-5H2,1,3H3
• InChIKey: AXTLFVLHXSDZOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(2-methylprop-2-en-1-yl)amine
• IUPAC Traditional name: ethyl(2-methylprop-2-en-1-yl)amine
• Synonyms: N-Ethyl-2-methylallylamine; N-乙基甲基丙烯胺

Database IDs

• CAS Number: 18328-90-0
• EC Number: 242-217-5
• MDL Number: MFCD00010757
• PubChem SID: 24857534; 162231864
• PubChem CID: 87587

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0776374
• LogD (pH = 7.4): -1.3358135
• Log P: 1.1385406
• Molar Refractivity: 32.8867 cm^3
• Polarizability: 13.112529 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 104.5-105 °C(lit.)
• Flash Point: 44.6 °F; 7 °C
• Density: 0.753 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4221(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/21/22-34
• Safety Statements: 16-26-27-33-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H314-H332
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 2

Product Information

• Purity: 98%
• Linear Formula: H2C=C(CH3)CH2NHC2H5