4-Cyanoacetylmorpholine - CAS 15029-32-0

Catalog:	BB010515
Product Name:	4-Cyanoacetylmorpholine
CAS:	15029-32-0
Synonyms:	3-(4-morpholinyl)-3-oxopropanenitrile; 3-morpholin-4-yl-3-oxopropanenitrile

Technical Data

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Computed Properties

IUPAC Name:	3-morpholin-4-yl-3-oxopropanenitrile
Description:	4-Cyanoacetylmorpholine (CAS# 15029-32-0) is a useful research chemical compound.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	C1COCCN1C(=O)CC#N
InChI:	InChI=1S/C7H10N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2
InChI Key:	AUZPMUJGZZSMCP-UHFFFAOYSA-N
Boiling Point:	230.8 °C at 760 mmHg
Density:	1.173 g/cm³
Appearance:	Off-white crystalline powder
MDL:	MFCD00023353
LogP:	-0.30322

Publication Number	Title	Priority Date
WO-2020249821-A1	Novel arginase inhibitors	20190614
KR-20210086680-A	Trifluoromethyl-substituted sulfonamides as BCL-2-selective inhibitors	20181029
AU-2018369787-A1	Immunoproteasome inhibitors	20171116
CA-3080958-A1	Immunoproteasome inhibitors	20171116
WO-2019099576-A1	Immunoproteasome inhibitors	20171116

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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:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8