furan-2-ylmethanamine

• ChemBase ID: 80496
• Molecular Formular: C5H7NO
• Molecular Mass: 97.11518
• Monoisotopic Mass: 97.05276385
• SMILES: o1c(ccc1)CN
• Canonical SMILES: NCc1ccco1
• InChI: InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
• InChIKey: DDRPCXLAQZKBJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-ylmethanamine
• IUPAC Traditional name: furfurylamine
• Synonyms: (Fur-2-yl)methylamine; Furfurylamine; 2-(Aminomethyl)furan 99%; furan-2-ylmethanamine; 2-Aminomethylfuran; Furfurylamine; 2-Furanmethanamine; (2-Furanylmethyl)amine; (Furan-2-yl)methanamine; 2-(Aminomethyl)furan; 2-Furfurylamine; 2-Furylmethanamine; NSC 49136; NSC 61168; 2-Furfurylamine; FURFURYLAMINE; Furan-2-methylamine; 2-氨甲基呋喃; 糠胺

Database IDs

• CAS Number: 617-89-0
• EC Number: 210-536-9
• MDL Number: MFCD00003258
• Beilstein Number: 1614
• PubChem SID: 24871746; 162067616; 24894804
• PubChem CID: 3438

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2756886
• LogD (pH = 7.4): -0.5844974
• Log P: 0.1592609
• Molar Refractivity: 26.9223 cm^3
• Polarizability: 10.554557 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Colorless Oil
• Melting Point: -70 °C(lit.); -70°C; -70°C; -71 - -70°C
• Boiling Point: 145-146 °C(lit.); 145-146°C; 145-146°C
• Flash Point: 37 °C; 37°C; 37°C(99°F); 98.6 °F
• Density: 1.050; 1.099; 1.099 g/mL at 25 °C(lit.)
• Refractive Index: 1.49; 1.4900; n20/D 1.490(lit.)
• Vapor Pressure: 4 mmHg ( 20 °C)
• Vapor Density: 3.35 (vs air)
• Hydrophobicity(logP): 0.27

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere
• Storage Warning: Air Sensitive; Flammable/Corrosive/Toxic/Air Sensitive/Store under Argon
• RTECS: LU9275000
• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T)
• UN Number: 2526; UN2526
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-21/22-34; 10-22-23/24-34; R:10-34
• Safety Statements: 26-36/37/39-45; S:16-26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302 + H312-H314; H301-H310-H330-H314-H318-H226
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; 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 2526 3/PG 3

Product Information

• Purity: ≥98.0% (GC); ≥99%; 95%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H7NO

DETAILS

MP Biomedicals - 05215198

MP Biomedicals Rare Chemical collection

Sigma Aldrich - F20009

Packaging
5, 100, 500 g in glass bottle

Toronto Research Chemicals - F864260

2-Furfurylamine is used in the synthesis of 2-Amino-N-(2-furylmethyl)propanamide, as a novel alanylglycine equivalent synthesized by bacilysin synthetase.

REFERENCES

• Faber, K., et al.: Pure Appl. Chem., 69, 1613 (1967)
• Marahiel, M., et al.: Chem. Biol. 4, 561 (1967)
• Mah, R., et al.: Appl. Microbiol., 15, 866 (1967)