Neocuproine - CAS 484-11-7

Catalog:	BB026536
Product Name:	Neocuproine
CAS:	484-11-7
Synonyms:	2,9-dimethyl-1,10-phenanthroline; 2,9-dimethyl-1,10-phenanthroline

Technical Data

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Computed Properties

IUPAC Name:	2,9-dimethyl-1,10-phenanthroline
Description:	Neocuproine (CAS# 484-11-7) is a phenanthroline based metal ion chelating agent.
Molecular Weight:	208.26
Molecular Formula:	C14H12N2
Canonical SMILES:	CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C
InChI:	InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
InChI Key:	IYRGXJIJGHOCFS-UHFFFAOYSA-N
Boiling Point:	367.4 °C at 760 mmHg
Density:	1.178 g/cm³
Appearance:	Beige crystalline solid
LogP:	3.39980

Publication Number	Title	Priority Date
CN-113264876-A	Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation	20210528
CN-113209177-A	Method for extracting flavonoid compounds in citrus peel with assistance of ultrasonic waves	20210512
CN-113214067-A	Preparation method of indanone compounds	20210508
CN-113518516-A	Manufacturing process of flexible circuit board	20210330
CN-113024340-A	Method for reducing alkyne into olefin by using water as hydrogen source under catalysis of nickel	20210318

PMID	Publication Date	Title	Journal
29803612	20180625	Copper-redox cycling by coumarin-di(2-picolyl)amine hybrid molecule leads to ROS-mediated DNA damage and apoptosis: A mechanism for cancer chemoprevention	Chemico-biological interactions
28986287	20180201	Deciphering the molecular mechanism underlying anticancer activity of coumestrol in triple-negative breast cancer cells	Toxicology in vitro : an international journal published in association with BIBRA
24961242	20140624	Perturbation of copper homeostasis is instrumental in early developmental arrest of intraerythrocytic Plasmodium falciparum	BMC microbiology
23841542	20131101	Copper(I) (pseudo)halide complexes with neocuproine and aminomethylphosphines derived from morpholine and thiomorpholine - in vitro cytotoxic and antimicrobial activity and the interactions with DNA and serum albumins	Chemical biology & drug design
23994247	20131025	DNA binding and oxidative DNA damage induced by climacostol-copper(II) complexes: implications for anticancer properties	Chemico-biological interactions

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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:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.100048391
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.100048391
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3