2-O-Methylcytosine - CAS 3289-47-2
Catalog: |
BB021470 |
Product Name: |
2-O-Methylcytosine |
CAS: |
3289-47-2 |
Synonyms: |
4-Amino-2-methoxypyrimidine; O-2-Methylcytosine; 2-Methoxy-4-pyrimidinamine; 2-Methoxy-pyrimidin-4-ylamine |
IUPAC Name: | 2-methoxypyrimidin-4-amine |
Description: | 2-O-Methylcytosine, an O-alkylated analogue and DNA adduct, is the damaged nucleobase. |
Molecular Weight: | 125.13 |
Molecular Formula: | C5H7N3O |
Canonical SMILES: | COC1=NC=CC(=N1)N |
InChI: | InChI=1S/C5H7N3O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3,(H2,6,7,8) |
InChI Key: | DHYLZDVDOQLEAQ-UHFFFAOYSA-N |
Boiling Point: | 294.4±32.0°C (Predicted) |
Melting Point: | 174°C |
Purity: | ≥97% |
Density: | 1.224 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | Light yellow crystalline solid |
Storage: | Store at 2-8°C, protect from light |
MDL: | MFCD00128201 |
LogP: | 0.64860 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021200009-A1 | Negative resist composition | 20200331 |
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PMID | Publication Date | Title | Journal |
17336582 | 20071101 | The hydrogen bonding and amino-imino tautomerization of the alkoxy-aminopyridines and amino-methoxypyrimidines with acetic acid The effects of the methoxy group | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 88.3 |
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: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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