2-Amino-4,5-imidazoledicarbonitrile - CAS 40953-34-2

Catalog:	BB024731
Product Name:	2-Amino-4,5-imidazoledicarbonitrile
CAS:	40953-34-2
Synonyms:	2-amino-1H-imidazole-4,5-dicarbonitrile; 2-amino-1H-imidazole-4,5-dicarbonitrile

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Computed Properties

IUPAC Name:	2-amino-1H-imidazole-4,5-dicarbonitrile
Description:	2-Amino-4,5-imidazoledicarbonitrile (CAS# 40953-34-2) is a useful research chemical.
Molecular Weight:	133.11
Molecular Formula:	C5H3N5
Canonical SMILES:	C(#N)C1=C(N=C(N1)N)C#N
InChI:	InChI=1S/C5H3N5/c6-1-3-4(2-7)10-5(8)9-3/h(H3,8,9,10)
InChI Key:	MLOXIXGLIZLPDP-UHFFFAOYSA-N
Boiling Point:	587.3 °C at 760 mmHg
Density:	1.54 g/cm³
MDL:	MFCD00129982
LogP:	0.31646

Publication Number	Title	Priority Date
CN-113185917-A	High-light-transmittance anti-cracking water-based paint and preparation method thereof	20210520
CN-112831130-A	Poly 4-methyl-1-pentene microporous membrane and preparation method thereof	20201231
JP-2021105200-A	Metal surface treatment agent, metal material having a film, and its manufacturing method	20191226
JP-6779357-B1	Metal surface treatment agent, metal material having a film, and its manufacturing method	20191226
WO-2021131374-A1	Metal surface-treating agent, and metal material with coating film and method for manufacturing same	20191226

PMID	Publication Date	Title	Journal
22110862	20100101	Application of nanomaterials in two-terminal resistive-switching memory devices	Nano reviews

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.03884512
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	133.03884512
Rotatable Bond Count:	0
Topological Polar Surface Area:	102 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2