2-Morpholinoethyl isocyanide - CAS 78375-48-1

Catalog:	BB036157
Product Name:	2-Morpholinoethyl isocyanide
CAS:	78375-48-1
Synonyms:	4-(2-isocyanoethyl)morpholine

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Computed Properties

IUPAC Name:	4-(2-isocyanoethyl)morpholine
Description:	2-Morpholinoethyl isocyanide (CAS# 78375-48-1) is a useful research chemical compound.
Molecular Weight:	140.18
Molecular Formula:	C7H12N2O
Canonical SMILES:	[C-]#[N+]CCN1CCOCC1
InChI:	InChI=1S/C7H12N2O/c1-8-2-3-9-4-6-10-7-5-9/h2-7H2
InChI Key:	MFRZPLYKVDHOSN-UHFFFAOYSA-N
Boiling Point:	72-73 °C (0.7 mmHg)
Density:	1.017 g/cm³
Appearance:	Liquid
MDL:	MFCD00040506
LogP:	-0.59350

Publication Number	Title	Priority Date
JP-2021073185-A	Its use in novel conjugates and specific conjugation of biomolecules with drugs	20201224
JP-2021006531-A	Cross-linked conjugate for conjugation of cell-binding molecules	20200901
US-11020474-B1	Producing recombinant SARS-CoV-2 spike protein in a pre-fusion state	20200625
WO-2021212039-A1	Inhibitors of cysteine proteases and methods of use thereof	20200417
JP-2020063254-A	Specific conjugates of cell-binding molecules	20191122

PMID	Publication Date	Title	Journal
17319733	20070305	Blue phosphorescence from mixed cyano-isocyanide cyclometalated iridium(III) complexes	Inorganic chemistry

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Related Functional Groups

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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, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.094963011
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.094963011
Rotatable Bond Count:	2
Topological Polar Surface Area:	16.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4