Chloroformamidine Hydrochloride - CAS 29671-92-9

Catalog:	BB020265
Product Name:	Chloroformamidine Hydrochloride
CAS:	29671-92-9
Synonyms:	carbamimidoyl chloride;hydrochloride; carbamimidoyl chloride;hydrochloride

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Computed Properties

IUPAC Name:	carbamimidoyl chloride;hydrochloride
Description:	Chloroformamidine Hydrochloride (CAS# 29671-92-9) is a useful research chemical.
Molecular Weight:	114.96
Molecular Formula:	CH4Cl2N2
Canonical SMILES:	C(=N)(N)Cl.Cl
InChI:	InChI=1S/CH3ClN2.ClH/c2-1(3)4;/h(H3,3,4);1H
InChI Key:	FUQFHOLPJJETAP-UHFFFAOYSA-N
Boiling Point:	88.8 °C at 760 mmHg
Density:	1.55 g/cm³
MDL:	MFCD00035527
LogP:	1.72070

Publication Number	Title	Priority Date
WO-2021114691-A1	Nitrogen-containing ring-fused compound, preparation method therefor and use thereof	20191213
CN-110627729-A	2-amino-6-chloropurine, and synthesis method, intermediate and application thereof	20191028
CN-110627729-B	2-amino-6-chloropurine, and synthesis method, intermediate and application thereof	20191028
WO-2021078995-A1	Selective polypeptide synthesis stalling assay and compound	20191025
CN-110534648-A	A kind of modified perovskite photoelectric functional material of small organic molecule halide, its preparation and application	20190830

PMID	Publication Date	Title	Journal
9804692	19981105	6-Substituted 2,4-diaminopyrido[3,2-d]pyrimidine analogues of piritrexim as inhibitors of dihydrofolate reductase from rat liver, Pneumocystis carinii, and Toxoplasma gondii and as antitumor agents	Journal of medicinal chemistry
8230096	19931015	2,4-Diaminothieno[2,3-d]pyrimidine analogues of trimetrexate and piritrexim as potential inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase	Journal of medicinal chemistry

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GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	33
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.9751535
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	113.9751535
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0