prop-2-en-1-amine

• ChemBase ID: 107678
• Molecular Formular: C3H7N
• Molecular Mass: 57.09438
• Monoisotopic Mass: 57.05784923
• SMILES: NCC=C
• Canonical SMILES: NCC=C
• InChI: InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
• InChIKey: VVJKKWFAADXIJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-en-1-amine
• IUPAC Traditional name: allylamine
• Synonyms: 3-Aminopropene; 3-Aminopropylene; Monoallylamine; 2-Propenamine; 2-Propen-1-amine; Allyl amine; 2-Propen-1-ylamine; 3-Amino-1-propene; Allylamine; Poly(allylamine hydrochloride); ALLYLAMINE; 丙烯基胺; 2-丙烯-1-胺; 3-氨基-1-丙烯; 烯丙胺; 聚(丙烯胺盐酸盐)

Database IDs

• CAS Number: 71550-12-4; 107-11-9
• EC Number: 203-463-9; 415-050-2
• MDL Number: MFCD00084396; MFCD00008199
• Beilstein Number: 635703
• Merck Index: 14287
• PubChem SID: 24854462; 24848749; 162093758
• PubChem CID: 7853
• CHEMBL: 57286
• Chemspider ID: 13835977
• Unique Ingredient Identifier: 48G762T011
• Wikipedia Title: Allylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.8962486
• LogD (pH = 7.4): -2.0909507
• Log P: 0.10579096
• Molar Refractivity: 19.0815 cm^3
• Polarizability: 7.571886 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Colorless liquid; Powder
• Melting Point: -88 °C(lit.); -88°C; -88°C
• Boiling Point: 53 °C(lit.); 53°C; 53-54°C; 55 - 58°C
• Flash Point: -20.2 °F; -28 °C; -28°C(-18°F); -29 °C
• Density: 0.76 g/ml; 0.761; 0.761 g/mL at 25 °C(lit.); 0.7630 g/cm^3, liquid
• Refractive Index: 1.4210; n20/D 1.420; n20/D 1.420(lit.)
• Vapor Pressure: 4.09 psi ( 20 °C)
• Vapor Density: 2 (vs air)
• pKa: 9.49

Safety Information

• Storage Warning: Air Sensitive
• RTECS: BA5425000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Toxic (T); X
• UN Number: 2334; UN2334
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 1; I
• Risk Statements: 11-23/24/25-51/53; 22-43; R:11-23/24/25-51/53; R11 R23/24/25 R51/53
• Safety Statements: 1/2-9-16-24/25-45-61; 36/37; 9-16-24/25-45-61; S:9-16-45-61-24/25; S9 S16 S24/25 S45 S61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07; GHS09
• GHS Signal Word: Danger
• Main Hazard: Lachrymatory
• NFPA704:
  

  3

  4
• Explode Limits: 22 %
• GHS Hazard statements: H225-H301-H310-H331-H411; H225-H301-H311-H331-H411; H302-H317
• GHS Precautionary statements: P210-P261-P273-P280-P301 + P310-P302 + P350; P210-P301+P310-P303+P361+P353-P361-P405-P501A; P280H
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2334 6.1/PG 1

Product Information

• Purity: ≥98.0% (GC); ≥99%; ≥99.5% (GC); 98%; 98+%
• Grade: puriss.; purum
• Impurities: ≤0.2% water
• Linear Formula: CH2=CHCH2NH2

DETAILS

MP Biomedicals - 05204571

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 145831

Application
Used in a direct monocarboxymethylation reaction.1
Packaging
1 L in Sure/Seal™
250 mL in Sure/Seal™

Sigma Aldrich - 241075

Packaging
50 mL in glass bottle