2-O-Methylcytosine - CAS 3289-47-2

Name: 2-O-Methylcytosine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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

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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