4-Amino-5-(hydroxymethyl)pyrimidin-2-ol supplier

Name
5-HYDROXYMETHYLCYTOSINE
EINECS
CAS No. 1123-95-1
Article Data6
CAS DataBase
Density 1.658 g/cm³
Solubility
Melting Point >299.85°C
Formula C₅H₇N₃O₂
Boiling Point 258.15°C (rough estimate)
Molecular Weight 141.129
Flash Point
Transport Information
Appearance
Safety 24/25
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(Hydroxymethyl)cytosine;5-(Oxymethyl)cytosine;Demethylbacimethrin;NSC 27368;2(1H)-Pyrimidinone,4-amino-5-(hydroxymethyl)- (9CI);Cytosine, 5-(hydroxymethyl)- (6CI,7CI,8CI);4-Amino-2-hydroxy-5-pyrimidinemethanol;4-Amino-5-(hydroxymethyl)-2(1H)-pyrimidinone;
PSA 92.26000
LogP -0.16210

4-Amino-5-(hydroxymethyl)pyrimidin-2-ol Specification

The 4-Amino-5-(hydroxymethyl)pyrimidin-2-ol with the cas number 1123-95-1 is also called 2(1H)-Pyrimidinone,6-amino-5-(hydroxymethyl)-. The IUPAC name is 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one. Its molecular formula is C₅H₇N₃O₂.

The properties of the chemical are: (1)ACD/LogP: -1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.8; (4)ACD/LogD (pH 7.4): -1.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.44; (8)ACD/KOC (pH 7.4): 2.55; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.14 Å²; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 32.76 cm³; (15)Molar Volume: 85.1 cm³; (16)Polarizability: 12.98×10^-24cm³; (17)Surface Tension: 75.1 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C\C(=C(\N)N1)CO
(2)InChI: InChI=1/C5H7N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10)
(3)InChIKey: RYVNIFSIEDRLSJ-UHFFFAOYAT

Product Name

5-HYDROXYMETHYLCYTOSINE

4-Amino-5-(hydroxymethyl)pyrimidin-2-ol Specification

Related Products

Hot Products