2-Benzylmorpholine - CAS 87955-28-0

Catalog:	BB038700
Product Name:	2-Benzylmorpholine
CAS:	87955-28-0
Synonyms:	2-(phenylmethyl)morpholine; 2-benzylmorpholine

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Computed Properties

IUPAC Name:	2-benzylmorpholine
Description:	2-Benzylmorpholine (CAS# 87955-28-0) is a useful research chemical.
Molecular Weight:	177.24
Molecular Formula:	C11H15NO
Canonical SMILES:	C1COC(CN1)CC2=CC=CC=C2
InChI:	InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2
InChI Key:	YZFCMGWCEXUGFX-UHFFFAOYSA-N
LogP:	1.54630

Publication Number	Title	Priority Date
WO-2021055591-A1	Substituted benzimidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2020059986-A1	Method for preparing fluorine-18-labeled fluoromethyl-substituted radiopharmaceuticals using selective azide substitution reaction and precursor scavenging	20180921
US-2020347071-A1	Aminopyrrolotriazines as kinase inhibitors	20180126
US-10111873-B1	Dihydropyrimidinone derivatives	20180117
EP-2906544-A1	Substituted phenylcarbamate compounds	20121012

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Related Functional Groups

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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:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.115364102
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.115364102
Rotatable Bond Count:	2
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4