Acetamidine hydrochloride - CAS 124-42-5

Catalog:	BB005890
Product Name:	Acetamidine hydrochloride
CAS:	124-42-5
Synonyms:	ethanimidamide;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	ethanimidamide;hydrochloride
Description:	Acetamidine hydrochloride (CAS# 124-42-5) is a compound useful in organic synthesis.
Molecular Weight:	94.54
Molecular Formula:	C2H7ClN2
Canonical SMILES:	CC(=N)N.Cl
InChI:	InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
InChI Key:	WCQOBLXWLRDEQA-UHFFFAOYSA-N
Boiling Point:	62.8 °C at 760 mmHg
Melting Point:	168 °C
Purity:	> 95.0 %T
Appearance:	White to almost white powder to crystal
Storage:	Store under inert gas
MDL:	MFCD00013016
LogP:	1.54430

Publication Number	Title	Priority Date
CN-113321598-A	Preparation method of acetamidine hydrochloride	20210622
CN-113214164-A	Synthetic method of Leborane intermediate 2, 4-dimethylpyrimidine-5-ol	20210520
CN-113252829-A	Method for determining acetamidine hydrochloride in irrigation water	20210507
CN-113121449-A	Full continuous flow preparation method of 2-methyl-4-amino-5-aminomethyl pyrimidine	20210401
CN-113024470-A	4-perfluoroalkyl substituted pyrimidine compound and preparation method and application thereof	20210317

PMID	Publication Date	Title	Journal
22951221	20121201	Novel aminobenzyl-acetamidine derivative modulate the differential regulation of NOSs in LPS induced inflammatory response: role of PI3K/Akt pathway	Biochimica et biophysica acta
22741778	20121101	Selective inhibition of inducible nitric oxide synthase by derivatives of acetamidine	Medicinal chemistry (Shariqah (United Arab Emirates))
22152129	20111212	Synthesis and properties of acetamidinium salts	Chemistry Central journal
21699159	20110801	A mild liquid reduction route toward uniform blue-emitting EuCl2 nanoprisms and nanorods	Inorganic chemistry
21567968	20110704	Selective inhibition of iNOS by benzyl- and dibenzyl derivatives of N-(3-aminobenzyl)acetamidine	ChemMedChem

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Related Functional Groups

Nitrogen Compounds

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

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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:	31
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	94.0297759
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	94.0297759
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0