(S)-3-Aminotetrahydrofuran Hydrochloride - CAS 204512-95-8

Catalog:	BB015982
Product Name:	(S)-3-Aminotetrahydrofuran Hydrochloride
CAS:	204512-95-8
Synonyms:	(3S)-3-oxolanamine;hydrochloride; (3S)-oxolan-3-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(3S)-oxolan-3-amine;hydrochloride
Description:	(S)-3-Aminotetrahydrofuran Hydrochloride (CAS# 204512-95-8) is an intermediate used to prepare 11β-Hydroxysteroid Dehydrogenase Type 1 (11β-HSD1) Inhibitors.
Molecular Weight:	123.58
Molecular Formula:	C4H10ClNO
Canonical SMILES:	C1COCC1N.Cl
InChI:	InChI=1S/C4H9NO.ClH/c5-4-1-2-6-3-4;/h4H,1-3,5H2;1H/t4-;/m0./s1
InChI Key:	MHOVLDXJDIEEMJ-WCCKRBBISA-N
Boiling Point:	173.5 °C at 760 mmHg
Appearance:	Solid
MDL:	MFCD08445642
LogP:	1.23630

Publication Number	Title	Priority Date
WO-2021171164-A1	Combinations for treatment of nafld/nash and related diseases	20200224
US-2021230146-A1	Thyroid hormone receptor agonists and use thereof	20200113
WO-2021143706-A1	Substituted triazinones as thyroid hormone receptor agonists	20200113
CN-112574189-A	EP300/CBP inhibitor	20190927
WO-2021057915-A1	Ep300/cbp inhibitor	20190927

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	46.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	123.0450916
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	123.0450916
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0