1-Benzhydryl-3-azetidinol Hydrochloride - CAS 90604-02-7

Catalog:	BB039903
Product Name:	1-Benzhydryl-3-azetidinol Hydrochloride
CAS:	90604-02-7
Synonyms:	1-(diphenylmethyl)-3-azetidinol;hydrochloride; 1-benzhydrylazetidin-3-ol;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	1-benzhydrylazetidin-3-ol;hydrochloride
Description:	1-Benzhydryl-3-azetidinol Hydrochloride (CAS# 90604-02-7) is a useful research chemical.
Molecular Weight:	275.77
Molecular Formula:	C16H18ClNO
Canonical SMILES:	C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl
InChI:	InChI=1S/C16H17NO.ClH/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,15-16,18H,11-12H2;1H
InChI Key:	LCHTWRWPHBRTNO-UHFFFAOYSA-N
Boiling Point:	353.8 °C at 760 mmHg
MDL:	MFCD00209447
LogP:	3.19240

Publication Number	Title	Priority Date
TW-201940475-A	Method and intermediate for preparing JAK inhibitor	20180130
US-2019233392-A1	Processes and intermediates for making a jak inhibitor	20180130
WO-2019152374-A1	Processes for preparing (1 -(3-fluoro-2-(trifluoromethyl)isonicotinyl)piperidine-4-one)	20180130
AU-2019213665-A1	Processes for preparing (1 -(3-fluoro-2-(trifluoromethyl)isonicotinyl)piperidine-4-one)	20180130
CN-112105608-A	Process for preparing (1- (3-fluoro-2- (trifluoromethyl) isonicotinanyl) piperidin-4-one)	20180130

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.1076919
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	275.1076919
Rotatable Bond Count:	3
Topological Polar Surface Area:	23.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0