O-Methylisourea Hydrochloride - CAS 5329-33-9

Catalog:	BB028123
Product Name:	O-Methylisourea Hydrochloride
CAS:	5329-33-9
Synonyms:	carbamimidic acid methyl ester;hydrochloride; methyl carbamimidate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	methyl carbamimidate;hydrochloride
Description:	O-Methylisourea Hydrochloride (CAS# 5329-33-9) is a useful research chemical.
Molecular Weight:	110.54
Molecular Formula:	C2H7ClN2O
Canonical SMILES:	COC(=N)N.Cl
InChI:	InChI=1S/C2H6N2O.ClH/c1-5-2(3)4;/h1H3,(H3,3,4);1H
InChI Key:	MUDVUWOLBJRUGF-UHFFFAOYSA-N
Boiling Point:	66.9 ℃ at 760 mmHg
Density:	1.17 g/cm³
Appearance:	Crystalline
MDL:	MFCD00044545
LogP:	1.12830

Publication Number	Title	Priority Date
CN-112457272-A	Preparation method of (3-methoxy-1, 2, 4-thiadiazole-5-amino) phenyl formate	20201202
CN-111454220-A	Synthesis process of flocculant additive 5-fluoroorotic acid	20200514
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
EP-3747872-A1	Carbocyclic nucleoside analogue	20190607
WO-2020245351-A1	Carbocyclic nucleoside analogue	20190607

PMID	Publication Date	Title	Journal
20207164	20100601	Integrating Lys-N proteolysis and N-terminal guanidination for improved fragmentation and relative quantification of singly-charged ions	Journal of the American Society for Mass Spectrometry
18344542	20080701	Chemical modulation of the chaperone function of human alphaA-crystallin	Journal of biochemistry
17650073	20071001	Profiling constitutive proteolytic events in vivo	The Biochemical journal
17067813	20070201	Relative quantification of tau-related peptides using guanidino-labeling derivatization (GLaD) with online-LC on a hybrid ion trap (IT) time-of-flight (ToF) mass spectrometer	Journal of the American Society for Mass Spectrometry
15768030	20050401	Enrichment and analysis of peptide subsets using fluorous affinity tags and mass spectrometry	Nature biotechnology

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Complexity:	42.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.0246905
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	110.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	59.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0