3-Aminocyclobutanol Hydrochloride - CAS 1036260-25-9

Catalog:	BB001186
Product Name:	3-Aminocyclobutanol Hydrochloride
CAS:	1036260-25-9
Synonyms:	3-amino-1-cyclobutanol;hydrochloride; 3-aminocyclobutan-1-ol;hydrochloride

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Computed Properties

IUPAC Name:	3-aminocyclobutan-1-ol;hydrochloride
Description:	3-Aminocyclobutanol Hydrochloride (CAS# 1036260-25-9) is used as a reactant in the preparation of pyrrolopyrazine derivatives as selective spleen tyrosine kinase inhibitors.
Molecular Weight:	123.58
Molecular Formula:	C4H10ClNO
Canonical SMILES:	C1C(CC1O)N.Cl
InChI:	InChI=1S/C4H9NO.ClH/c5-3-1-4(6)2-3;/h3-4,6H,1-2,5H2;1H
InChI Key:	XUMSHCRPQCZRGX-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD09027510
LogP:	0.97070

Publication Number	Title	Priority Date
CN-112608243-A	Synthesis method of trans-3-aminobutanol	20201215
EP-3901152-A1	Kv3 enhancers for the treatment of cognitive disorders	20200423
WO-2021209055-A1	Imidazolinone derivative and use thereof in medicine	20200417
WO-2021207186-A1	Cd38 inhibitors	20200407
WO-2021180235-A1	Inhibitor of enhancer of zeste homologue 2, and use thereof	20200313

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	49.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
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:	3
Isotope Atom Count:	0
Monoisotopic Mass:	123.0450916
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0