3-Methoxyazetidine Hydrochloride - CAS 148644-09-1

Catalog:	BB010328
Product Name:	3-Methoxyazetidine Hydrochloride
CAS:	148644-09-1
Synonyms:	3-methoxyazetidine;hydrochloride; 3-methoxyazetidine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3-methoxyazetidine;hydrochloride
Description:	Used in the preparation of isoxazole-thiazole derivatives as GABA A receptor inverse agonists for use in the treatment of cognitive disorders.
Molecular Weight:	123.58
Molecular Formula:	C4H10ClNO
Canonical SMILES:	COC1CNC1.Cl
InChI:	InChI=1S/C4H9NO.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
InChI Key:	KSXGQRBTBLQJEF-UHFFFAOYSA-N
Boiling Point:	146.3 °C at 760 mmHg
MDL:	MFCD06804514
LogP:	0.73540

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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:	42.8
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	123.0450916
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0