5-Methylcytosine - CAS 554-01-8

Catalog:	BB029026
Product Name:	5-Methylcytosine
CAS:	554-01-8
Synonyms:	6-amino-5-methyl-1H-pyrimidin-2-one; 6-amino-5-methyl-1H-pyrimidin-2-one

Technical Data

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Computed Properties

IUPAC Name:	6-amino-5-methyl-1H-pyrimidin-2-one
Description:	5-Methylcytosine (CAS# 554-01-8) is a useful research chemical.
Molecular Weight:	125.13
Molecular Formula:	C5H7N3O
Canonical SMILES:	CC1=C(NC(=O)N=C1)N
InChI:	InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
InChI Key:	LRSASMSXMSNRBT-UHFFFAOYSA-N
Boiling Point:	417.3 °C at 760 mmHg
Melting Point:	270 °C
Density:	1.44 g/cm³
Solubility:	34.5 mg/mL
Appearance:	Solid
MDL:	MFCD00233537
LogP:	0.24170

Publication Number	Title	Priority Date
CN-113480620-A	Mutant of porin monomer, protein pore and application thereof	20210818
CN-113373204-A	Specific primer group, kit and method for detecting methylation of human RASSF1A gene	20210714
CN-113186278-A	Thyroid nodule benign and malignant related marker and application thereof	20210701
CN-113186278-B	Thyroid nodule benign and malignant related marker and application thereof	20210701
CN-113337617-A	Large yellow croaker DNA methylation molecular marker and application thereof in breeding	20210629

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
33549593	20210315	Reduced hepatic global hydroxymethylation in mice treated with non-genotoxic carcinogens is transiently reversible with a methyl supplemented diet	Toxicology and applied pharmacology
32068019	20200415	Transplacental arsenic exposure produced 5-methylcytosine methylation changes and aberrant microRNA expressions in livers of male fetal mice	Toxicology
31881267	20200401	Acute low-dose bisphenol S exposure affects mouse oocyte quality	Reproductive toxicology (Elmsford, N.Y.)
31279042	20191001	DNA methylation is involved in pro-inflammatory cytokines expression in T-2 toxin-induced liver injury	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

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GHS Hazard Statement:	H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.058911855
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	125.058911855
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8