4-(2,2-diethoxyethyl)morpholine - CAS 3616-59-9

Catalog:	BB022889
Product Name:	4-(2,2-diethoxyethyl)morpholine
CAS:	3616-59-9
Synonyms:	4-(2,2-diethoxyethyl)morpholine; 4-(2,2-diethoxyethyl)morpholine

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Computed Properties

IUPAC Name:	4-(2,2-diethoxyethyl)morpholine
Description:	4-(2,2-diethoxyethyl)morpholine (CAS# 3616-59-9 ) is a useful research chemical.
Molecular Weight:	203.282
Molecular Formula:	C10H21NO3
Canonical SMILES:	CCOC(CN1CCOCC1)OCC
InChI:	InChI=1S/C10H21NO3/c1-3-13-10(14-4-2)9-11-5-7-12-8-6-11/h10H,3-9H2,1-2H3
InChI Key:	SZCDHXBTGQLOBZ-UHFFFAOYSA-N
Boiling Point:	248.8 °C at 760 mmHg
Density:	0.99 g/cm³
LogP:	0.65560

Publication Number	Title	Priority Date
US-2017326125-A1	Multisubstituted aromatic compounds as inhibitors of thrombin	20160516
AU-2015276699-A1	Pyridino[1,2-a]pyrimidone analogue used as PI3K inhibitor	20140617
AU-2015276699-B2	Pyridino[1,2-a]pyrimidone analogue used as PI3K inhibitor	20140617
CN-106470992-B	Pyrido [1,2-A] pyrimidinone analogues as PI3K inhibitor	20140617
EA-032642-B1	PYRIDINO [1,2-a] PYRIMIDONE ANALOGUES, USED AS PI3K INHIBITORS	20140617

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GHS Hazard Statement:	H319 (97.44%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.15214353
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.15214353
Rotatable Bond Count:	6
Topological Polar Surface Area:	30.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5