N-Benzyl-3-(hydroxymethyl)morpholine - CAS 110167-20-9

Catalog:	BB002601
Product Name:	N-Benzyl-3-(hydroxymethyl)morpholine
CAS:	110167-20-9
Synonyms:	[4-(phenylmethyl)-3-morpholinyl]methanol; (4-benzylmorpholin-3-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-benzylmorpholin-3-yl)methanol
Description:	N-Benzyl-3-(hydroxymethyl)morpholine (CAS# 110167-20-9) is an intermediate used in the synthesis of substituted morpholines used as appetite suppressants.
Molecular Weight:	207.27
Molecular Formula:	C12H17NO2
Canonical SMILES:	C1COCC(N1CC2=CC=CC=C2)CO
InChI:	InChI=1S/C12H17NO2/c14-9-12-10-15-7-6-13(12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChI Key:	CPLXVETYMUMERG-UHFFFAOYSA-N
Appearance:	Liquid
Storage:	Sealed in dry, 2-8 °C
LogP:	0.81760

Publication Number	Title	Priority Date
WO-2020249096-A1	Fused ring compound as fgfr and vegfr dual inhibitor	20190614
US-10392376-B2	Heterocyclic inhibitors of ATR kinase	20170713
US-2019016713-A1	Heterocyclic inhibitors of atr kinase	20170713
US-2020102296-A1	Heterocyclic inhibitors of atr kinase	20170713
WO-2019014618-A1	HETEROCYCLIC INHIBITORS OF KINASE ATR	20170713

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.125928785
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.125928785
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.7
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8