2-Amino-1,1,3-propenetricarbonitrile - CAS 868-54-2

Name: 2-Amino-1,1,3-propenetricarbonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038094
Product Name:	2-Amino-1,1,3-propenetricarbonitrile
CAS:	868-54-2
Synonyms:	2-aminoprop-1-ene-1,1,3-tricarbonitrile

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Computed Properties

IUPAC Name:	2-aminoprop-1-ene-1,1,3-tricarbonitrile
Description:	2-Amino-1,1,3-propenetricarbonitrile stimulates choline acetyltransferase activity in animals. A neurotrophic agent with potential therapeutic effect on cholinergic disorders.
Molecular Weight:	132.12
Molecular Formula:	C6H4N4
Canonical SMILES:	C(C#N)C(=C(C#N)C#N)N
InChI:	InChI=1S/C6H4N4/c7-2-1-6(10)5(3-8)4-9/h1,10H2
InChI Key:	BNHGNFYPZNDLAF-UHFFFAOYSA-N
Boiling Point:	454.9 °C at 760 mmHg
Purity:	98 %
Density:	1.13 g/cm³
MDL:	MFCD00001851
LogP:	0.86034

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
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
WO-2021066174-A1	Non-aqueous lithium power storage element	20191004
WO-2021011631-A1	Fused-glutarimide crbn ligands and uses thereof	20190715

PMID	Publication Date	Title	Journal
22546930	20120728	New domino heteroannulation of enaminones: synthesis of diverse fused naphthyridines	Organic & biomolecular chemistry
21406343	20110301	Use of 2-aminoprop-1-ene-1,1,3-tricarbonitrile for the synthesis of tetrahydronaphthalene, hexahydroisoquinoline and hexahydrocinnoline derivatives with potential antitumor activities	Acta pharmaceutica (Zagreb, Croatia)
21266943	20110104	A route to dicyanomethylene pyridines and substituted benzonitriles utilizing malononitrile dimer as a precursor	Molecules (Basel, Switzerland)
19449111	20100201	A new one-pot three-component synthesis of 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile derivatives	Molecular diversity
17851395	20070308	An efficient synthesis of pyrazolo[3,4-b]quinolin-3-amine and benzo[b][1,8]naphthyridine derivatives	Molecules (Basel, Switzerland)

Complexity:	278
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.043596145
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.043596145
Rotatable Bond Count:	1
Topological Polar Surface Area:	97.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1