methylbis(prop-2-en-1-yl)amine

• ChemBase ID: 109473
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: CN(CC=C)CC=C
• Canonical SMILES: C=CCN(CC=C)C
• InChI: InChI=1S/C7H13N/c1-4-6-8(3)7-5-2/h4-5H,1-2,6-7H2,3H3
• InChIKey: WGESLFUSXZBFQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylbis(prop-2-en-1-yl)amine
• IUPAC Traditional name: methylbis(prop-2-en-1-yl)amine
• Synonyms: Diallylmethylamine; DIALLYLMETHYLAMINE; N-甲基二烯丙基胺

Database IDs

• CAS Number: 2424-01-3; 55553-13-4
• EC Number: 219-354-4
• MDL Number: MFCD00039824
• PubChem SID: 24878624; 162095345
• PubChem CID: 75501

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.3188605
• LogD (pH = 7.4): 0.4067023
• Log P: 1.6526691
• Molar Refractivity: 38.3135 cm^3
• Polarizability: 14.731763 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 111 °C(lit.)
• Flash Point: 44.6 °F; 7 °C
• Density: 0.789 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.43(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• 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: 97%
• Linear Formula: (CH2=CHCH2)2NCH3

DETAILS

MP Biomedicals - 05211181

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 542687

Packaging
1 g in glass bottle