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

• ChemBase ID: 87859
• Molecular Formular: C4H9N
• Molecular Mass: 71.12096
• Monoisotopic Mass: 71.07349929
• SMILES: N(CC=C)C
• Canonical SMILES: CNCC=C
• InChI: InChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3
• InChIKey: IOXXVNYDGIXMIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(prop-2-en-1-yl)amine
• IUPAC Traditional name: N-methylallylamine
• Synonyms: N-Methylallylamine; N-Allylmethylamine; 3-(Methylamino)prop-1-ene; N-Methylallylamine; N-Allylmethylamine; N-甲基烯丙基胺; N-烯丙基甲胺

Database IDs

• CAS Number: 627-37-2
• EC Number: 210-996-0
• MDL Number: MFCD00008641
• Beilstein Number: 1098387
• PubChem SID: 24859099; 162074899; 24845904
• PubChem CID: 69391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.667364
• LogD (pH = 7.4): -1.8063009
• Log P: 0.5383713
• Molar Refractivity: 23.8561 cm^3
• Polarizability: 9.418702 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 61-66°C; 64-66 °C(lit.)
• Flash Point: -18.4 °F; -28 °C; -8°C
• Density: 0.741 g/mL at 25 °C(lit.); 0.748
• Refractive Index: n20/D 1.412; n20/D 1.412(lit.)

Safety Information

• Storage Warning: Highly Flammable/Toxic/Corrosive/Air Sensitive/Keep Cold/Store under Argon
• RTECS: UC6632500
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3286
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H314-H331
• GHS Precautionary statements: P210-P261-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 3286 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 96%
• Grade: purum
• Linear Formula: CH2=CHCH2NHCH3

DETAILS

Sigma Aldrich - 317748

Packaging
1, 5 g in ampule