4-Morpholinecarbonitrile - CAS 1530-89-8

Catalog:	BB010853
Product Name:	4-Morpholinecarbonitrile
CAS:	1530-89-8
Synonyms:	morpholine-4-carbonitrile

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Computed Properties

IUPAC Name:	morpholine-4-carbonitrile
Description:	4-Morpholinecarbonitrile (CAS# 1530-89-8) is used in the production of Rimacalib. 4-Morpholinecarbonitrile is selectively formed through a one-step nucleophilic substitution reaction of allylic tertiary amines with cyanogen bromide.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	C1COCCN1C#N
InChI:	InChI=1S/C5H8N2O/c6-5-7-1-3-8-4-2-7/h1-4H2
InChI Key:	BOQOXLAQTDFJKU-UHFFFAOYSA-N
Boiling Point:	71-73 °C / 0.6 mmHg (lit.)
Density:	1.109 g/mL at 25°C(lit.)
MDL:	MFCD00006164
LogP:	-0.26242

Publication Number	Title	Priority Date
CN-113072460-A	Morpholine derivative oxidation ring-opening method and product thereof	20210331
CN-112812205-A	Catalyst component for olefin polymerization reaction, catalyst thereof, preparation method and application thereof	20191118
KR-102262328-B1	Catalyst for hydrolysis of chemical warfare agents with enhanced activity and recyclability	20190924
KR-20210035513-A	Catalyst for hydrolysis of chemical warfare agents with enhanced activity and recyclability	20190924
US-2020313240-A1	Electrolyte additive, electrolyte and lithium ion secondary battery containing the same	20190329

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Related Functional Groups

Morpholines/Thiomorpholines

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.063662883
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	112.063662883
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2