3-Aminotetrahydrofuran - CAS 88675-24-5

Catalog:	BB039136
Product Name:	3-Aminotetrahydrofuran
CAS:	88675-24-5
Synonyms:	3-oxolanamine; oxolan-3-amine

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Computed Properties

IUPAC Name:	oxolan-3-amine
Description:	3-Aminotetrahydrofuran (CAS# 88675-24-5) is a useful research chemical for organic synthesis and other chemical processes. It acts as a reagent in the synthesis of pyrimidinyl derivatives that functions as irreversible pan fibroblast growth factor receptor inhibitor.
Molecular Weight:	87.12
Molecular Formula:	C4H9NO
Canonical SMILES:	C1COCC1N
InChI:	InChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2
InChI Key:	MIPHRQMEIYLZFZ-UHFFFAOYSA-N
Boiling Point:	125.6 °C at 760 mmHg
Density:	0.997 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD07778394
LogP:	0.43430

Publication Number	Title	Priority Date
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331
CN-111138391-A	Method for preparing 3-acetamido furan and derivatives thereof from marine waste biomass	20200114
CN-113121509-A	JAK inhibitor compounds and uses thereof	20191230
WO-2021136345-A1	Jak inhibitor compound and use thereof	20191230
WO-2021114691-A1	Nitrogen-containing ring-fused compound, preparation method therefor and use thereof	20191213

PMID	Publication Date	Title	Journal
12614898	20030320	Design and synthesis of HIV-1 protease inhibitors. Novel tetrahydrofuran P2/P2'-groups interacting with Asp29/30 of the HIV-1 protease. Determination of binding from X-ray crystal structure of inhibitor protease complex	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P310, P321, P330, P332+P313, P362, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	46.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	87.068413911
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	87.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7