5-Methylcytosine hydrochloride
Basic information
- CAS
58366-64-6- Standard SMILES
Cc1cnc(=O)[nH]c1N.Cl- InChIKey
ANWMULVRPAUPJT-UHFFFAOYSA-N- Molecular formula
- C5H8ClN3O
- Average molar mass
- 161.59 g/mol
- Monoisotopic mass
- 161.0355896
Overview
5-Methylcytosine hydrochloride is a pyrimidone.
Names & identifiers
- Preferred name
- 5-Methylcytosine hydrochloride
- IUPAC
- 6-amino-5-methyl-1H-pyrimidin-2-one;hydrochloride
- English name
- 5-Methylcytosine hydrochloride
- Molecular formula
- C5H8ClN3O
- Molecular weight
- 161.59
Names & synonyms
5-Methylcytosine hydrochloride58366-64-66-amino-5-methyl-1H-pyrimidin-2-one;hydrochloride4-Amino-5-methyl-1H-pyrimidin-2-one hydrochloride232TOB65NXDTXSID302070854-Amino-5-methyl-1H-pyrimidin-2-one HClEINECS 261-223-94-Amino-2-hydroxy-5-methylpyrimidine hydrochlorideRefChem:5372514Amino5methyl1Hpyrimidin2one HClDTXCID30129576
Show more names
5-METHYLCYTOSINE HYD5-Methylcytosine (VAN)5ethylcytosine Hydrochloride5,7-dimethoxy-4-phenanthrenolCytosine, 5-methyl- (VAN) (8CI)5-MethylcytosineHydrochloride>5-METHYLCYTOSINE HYDROCHLORIDE 98%5-Methylcytosine hydrochloride ,98%
4Amino5methyl1Hpyrimidin2one hydrochloride5-Methylcytosine HCl5-Methylcytosinehydrochloride4-Amino-5-methylpyrimidin-2(1H)-one hydrochloride4-Amino-2-hydroxy-5-methylpyrimidine5-methyl cytosine hydrochlorideMFCD00035313bmse000421
Database identifiers
- CAS
58366-64-6- PubChem CID
- 94029
- DTXSID
DTXSID30207085- ChEBI
CHEBI:165844- UNII
- 232TOB65NX
- EC Number
- 261-223-9
Properties
Computed structural properties
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyrimidines
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 293 · 293-295°C effervescence
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Heated), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- biological source
- synthetic (organic)
- Water Solubility
- 50 mg/mL, · water: 50mg/mL, clear to slightly hazy, colorless
- Stability
- This compound looses chloride readily. Keep container tightly closed, and store in freezer.
- InChI
- 1S/C5H7N3O.ClH/c1-3-2-7-5(9)8-4(3)6;/h2H,1H3,(H3,6,7,8,9);1H
- InChIKey
- ANWMULVRPAUPJT-UHFFFAOYSA-N
- SMILES
- O=C1NC(N)=C(C)C=N1.[H]Cl
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29335990
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesA derivative of Dibarbituric acid.
Uses5-Methylcytosine hydrochloride has been used as standard in high performance liquid chromatography (HPLC) for the estimation of global methylation rates. It has also been used in high-resolution mass spectroscopic analysis.
Additional notes
DefinitionChEBI: 5-Methylcytosine hydrochloride is a pyrimidone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…