2-Methoxyacetamidine Hydrochloride - CAS 1903-91-9

Catalog:	BB014716
Product Name:	2-Methoxyacetamidine Hydrochloride
CAS:	1903-91-9
Synonyms:	2-methoxyethanimidamide;hydrochloride; 2-methoxyethanimidamide;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methoxyethanimidamide;hydrochloride
Description:	2-Methoxyacetamidine Hydrochloride (CAS# 1903-91-9) is a useful research chemical.
Molecular Weight:	124.57
Molecular Formula:	C3H9ClN2O
Canonical SMILES:	COCC(=N)N.Cl
InChI:	InChI=1S/C3H8N2O.ClH/c1-6-2-3(4)5;/h2H2,1H3,(H3,4,5);1H
InChI Key:	JIQYMVXNVNFXIP-UHFFFAOYSA-N
Boiling Point:	172.5 °C at 760 mmHg
LogP:	1.17080

Publication Number	Title	Priority Date
WO-2020239999-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
US-2021300918-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
WO-2020198026-A1	Compounds and uses thereof	20190322
WO-2019183587-A1	Compounds and uses thereof	20180323
AU-2019238326-A1	Compounds and uses thereof	20180323

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	52.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.0403406
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	124.0403406
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0