2-Furanethanamine - CAS 1121-46-6

Catalog:	BB002885
Product Name:	2-Furanethanamine
CAS:	1121-46-6
Synonyms:	2-(2-furanyl)ethanamine; 2-(furan-2-yl)ethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(furan-2-yl)ethanamine
Description:	2-Furanethanamine (CAS# 1121-46-6) is a useful research chemical.
Molecular Weight:	111.14
Molecular Formula:	C6H9NO
Canonical SMILES:	C1=COC(=C1)CCN
InChI:	InChI=1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
InChI Key:	ZQSLNSHMUQXSQJ-UHFFFAOYSA-N
Boiling Point:	162.5 °C at 760 mmHg
Density:	1.022 g/cm³
MDL:	MFCD04113973
LogP:	1.48110

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	65.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.068413911
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	111.068413911
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9