ethyl isobutyrimidate hydrochloride - CAS 52070-18-5

Catalog:	BB027699
Product Name:	ethyl isobutyrimidate hydrochloride
CAS:	52070-18-5
Synonyms:	2-methylpropanimidic acid ethyl ester;hydrochloride; ethyl 2-methylpropanimidate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-methylpropanimidate;hydrochloride
Description:	ethyl isobutyrimidate hydrochloride (CAS# 52070-18-5 ) is a useful research chemical.
Molecular Weight:	151.63
Molecular Formula:	C6H14ClNO
Canonical SMILES:	CCOC(=N)C(C)C.Cl
InChI:	InChI=1S/C6H13NO.ClH/c1-4-8-6(7)5(2)3;/h5,7H,4H2,1-3H3;1H
InChI Key:	LWNZWFFRNHYXPX-UHFFFAOYSA-N
LogP:	2.55790

Publication Number	Title	Priority Date
US-2014296252-A1	1,2,4-triazol-5-ones and analogs exhibiting anti-cancer and anti-proliferative activities	20130315
US-9193719-B2	1,2,4-triazol-5-ones and analogs exhibiting anti-cancer and anti-proliferative activities	20130315
WO-2014145023-A1	1,2,4-triazol-5-ones and analogs exhibiting anti-cancer and anti-proliferative activities	20130315
AU-2012232658-A1	Substituted fused tricyclic compounds, compositions and medicinal applications thereof	20110322
CA-2830882-A1	Substituted fused tricyclic compounds, compositions and medicinal applications thereof	20110322

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[1006443-01-1]
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[1431966-64-1]
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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:	78.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.0763918
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	151.0763918
Rotatable Bond Count:	3
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0