Guanine - CAS 73-40-5

Catalog:	BB034838
Product Name:	Guanine
CAS:	73-40-5
Synonyms:	2-Amino-1,9-dihydro-6H-purin-6-one; 2-Amino-6-hydroxy-1H-purine; 2-Amino-6-hydroxypurine; 2-Aminohypoxanthine; 9H-Guanine; 2-Amino-hypoxanthine; Acyclovir Impurity B; Guanin

Technical Data

IUPAC Name:	2-amino-1,7-dihydropurin-6-one
Description:	Guanine is a purine base which is the component of nucleotides occurring in nucleic acids.
Molecular Weight:	151.13
Molecular Formula:	C5H5N5O
Canonical SMILES:	C1=NC2=C(N1)C(=O)NC(=N2)N
InChI:	InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChI Key:	UYTPUPDQBNUYGX-UHFFFAOYSA-N
Boiling Point:	591.4 °C at 760 mmHg
Melting Point:	>300°C
Flash Point:	311.4°C
Purity:	≥98%
Density:	2.19 g/cm³
Solubility:	Soluble in Aqueous Base (Slightly)
Appearance:	White to Off-white Solid
Storage:	Cool and dry place
MDL:	MFCD00071533
LogP:	-0.19040
Quality Standard:	Enterprise Standard
Refractive Index:	2.047
Stability:	Stable. Incompatible with strong oxidizing agents.

GHS Hazard Statement:	H315 (99.11%): 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

Publication Number	Title	Priority Date
EP-3661522-A2	Drug compound and purification methods thereof	20170803
KR-20200035438-A	Drug compound and purification method thereof	20170803
US-10519190-B2	Drug compound and purification methods thereof	20170803
US-2019085018-A1	Drug compound and purification methods thereof	20170803
US-2020172565-A1	Drug compound and purification methods thereof	20170803

PMID	Publication Date	Title	Journal
33388378	20210401	TET-mediated DNA demethylation plays an important role in arsenic-induced HBE cells oxidative stress via regulating promoter methylation of OGG1 and GSTP1	Toxicology in vitro : an international journal published in association with BIBRA
32531573	20200915	Assessment of arsenic-induced modifications in the DNA methylation of insulin-related genes in rat pancreatic islets	Ecotoxicology and environmental safety
32699268	20200722	Post-transcriptional air pollution oxidation to the cholesterol biosynthesis pathway promotes pulmonary stress phenotypes	Communications biology
32237725	20200720	Interindividual Differences in DNA Adduct Formation and Detoxification of 1,3-Butadiene-Derived Epoxide in Human HapMap Cell Lines	Chemical research in toxicology
32529823	20200720	Analysis of DNA Adducts and Mutagenic Potency and Specificity in Rats Exposed to Acrylonitrile	Chemical research in toxicology

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.04940980
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	151.04940980
Rotatable Bond Count:	0
Topological Polar Surface Area:	96.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1