4-Morpholinobenzonitrile - CAS 10282-31-2

Catalog:	BB000952
Product Name:	4-Morpholinobenzonitrile
CAS:	10282-31-2
Synonyms:	4-(4-morpholinyl)benzonitrile; 4-morpholin-4-ylbenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-morpholin-4-ylbenzonitrile
Description:	4-Morpholinobenzonitrile (CAS# 10282-31-2) is a useful research chemical.
Molecular Weight:	188.23
Molecular Formula:	C11H12N2O
Canonical SMILES:	C1COCCN1C2=CC=C(C=C2)C#N
InChI:	InChI=1S/C11H12N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-8H2
InChI Key:	ZSCUWVQXQDCSRV-UHFFFAOYSA-N
Boiling Point:	371.7 °C at 760 mmHg
Density:	1.17 g/cm³
Solubility:	Other solvents(Soluble) : Methanol
Appearance:	White to off-white powder
MDL:	MFCD00100115
LogP:	1.45988

Publication Number	Title	Priority Date
CN-113072460-A	Morpholine derivative oxidation ring-opening method and product thereof	20210331
CN-112159368-A	Synthesis method of linezolid intermediate	20200707
WO-2021096496-A1	Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions	20191112
US-2019345122-A1	Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions	20180508
US-2020147581-A1	Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions	20180508

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Nitrogen Compounds

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.094963011
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1