1-(Furan-3-yl)methanamine

HCID 2776197CAS 4543-47-9

Substructure search Find similar structures

Basic information

Standard SMILES: NCc1ccoc1
InChIKey: XNABHFLZYMCJHE-UHFFFAOYSA-N
Molecular formula: C5H7NO
Average molar mass: 97.12 g/mol
Monoisotopic mass: 97.05276385

Names & identifiers

Preferred name: 1-(Furan-3-yl)methanamine
IUPAC: furan-3-ylmethanamine
English name: 3-Furylmethylamine
Molecular formula: C5H7NO
Molecular weight: 97.12

Names & synonyms

1-(FURAN-3-YL)METHANAMINERefChem:427845800-812-2furan-3-ylmethanamine4543-47-93-FURYLMETHYLAMINE3-Furanmethanamine3-(Aminomethyl)furanMFCD02681983(furan-3-yl)methanamine3-furylmethanamine(Fur-3-yl)methylamine

Show more names

3-furanmethylamineRARECHEM AL BW 11821-furan-3-ylmethanamine

3-furfurylamine3-aminomethylfuran3-Furanmethylamine (8CI); 1-(Furan-3-yl)methanamine; 3-Aminomethylfuran; 3-Furfurylamine; Furan-3-ylmethanamine; [(Furan-3-yl)methyl]aminefuran-3-ylmethylamine3-Furylmethylamine, techSCHEMBL6565443-furylmethylamine, AldrichCPRorb3030355

Database identifiers

CAS: 4543-47-9
PubChem CID: 2776197
DTXSID: DTXSID20379881
EC Number: 800-812-2
Nikkaji: J2.662.764H

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 39.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Physicochemical properties

Boiling point: 52 · 52-54°C 15mm
Density: 1.053 · 1.053±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka: 9.6 · 9.60±0.40(Predicted)
form: Oil
color: Yellow
InChI: InChI=1S/C5H7NO/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2
InChIKey: XNABHFLZYMCJHE-UHFFFAOYSA-N
SMILES: O1C=CC(CN)=C1
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H314
Precautionary statements: 280 · P280-P309+P311
Hazard Codes: C,Xi,T
Risk Statements: 10 · 10-20/21/22-34-36-25
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2733 · 2733
Hazard Note: Irritant
HS Code: 2932190090 · 2932190090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (93%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.