Aminoimidazole carboxamide - CAS 360-97-4

Catalog:	BB022864
Product Name:	Aminoimidazole carboxamide
CAS:	360-97-4
Synonyms:	Aminoimidazole-4-carboxamide, 5-; 5-Aminoimidazole-4-carboxamide

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	4-amino-1H-imidazole-5-carboxamide
Description:	Aminoimidazole carboxamide is an imidazole derivative and a metabolite of antitumor drugs BIC and DIC.
Molecular Weight:	126.1
Molecular Formula:	C4H6N4O
Canonical SMILES:	C1=NC(=C(N1)C(=O)N)N
InChI:	InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
InChI Key:	DVNYTAVYBRSTGK-UHFFFAOYSA-N
Melting Point:	164-170 °C (lit.)
Purity:	> 95 % by HPLC
Density:	1.538 g/cm³
Solubility:	Soluble in DMSO
Appearance:	White to off-white crystalline powder
Storage:	Store at -20 °C
MDL:	MFCD02181040
LogP:	0.37230

Publication Number	Title	Priority Date
CN-113476609-A	Composition of temozolomide and hypoxanthine-guanine nucleoside phosphate transferase micromolecule inhibitor and application thereof	20210805
CN-112174890-A	Ketone-substituted heterocyclic compounds and their anesthetic action	20201009
CN-112239428-A	Ketone-substituted heterocyclic compounds and their anesthetic action	20201009
CN-111871152-A	Functionalized ionic liquid and preparation method and application thereof	20200730
CN-111871152-B	Functionalized ionic liquid and preparation method and application thereof	20200730

PMID	Publication Date	Title	Journal
33586219	20210501	Iprodione and chlorpyrifos induce testicular damage, oxidative stress, apoptosis and suppression of steroidogenic- and spermatogenic-related genes in immature male albino rats	Andrologia
33226166	20210401	N-acetylcysteine reduced the immunotoxicity effects induced in vitro by azoxystrobin and iprodione fungicides in mice	Environmental toxicology
33508418	20210301	Effects of dibutyl phthalate on lipid metabolism in liver and hepatocytes based on PPARα/SREBP-1c/FAS/GPAT/AMPK signal pathway	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
32829219	20210101	Development toxicity and cardiotoxicity in zebrafish from exposure to iprodione	Chemosphere
28576679	20171201	Effects of low doses of carbendazim or iprodione either separately or in mixture on the pubertal rat seminiferous epithelium: An ex vivo study	Toxicology in vitro : an international journal published in association with BIBRA

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GHS Hazard Statement:	H315 (98.04%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (98.04%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.05416083
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	126.05416083
Rotatable Bond Count:	1
Topological Polar Surface Area:	97.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5