| Identification | |
| Name: | 2(1H)-Pyrimidinone,6-amino-5-(hydroxymethyl)- |
| 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; |
| CAS: | 1123-95-1 |
| Molecular Formula: | C5H7N3O2 |
| Molecular Weight: | 141.13 |
| InChI: | InChI=1/C5H7N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1,9H,2H2,(H3,6,7,8,10) |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | °C |
| Boiling Point: | °Cat760mmHg |
| Density: | 1.65g/cm3 |
| Refractive index: | 1.696 |
| 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: |
| Flash Point: | °C |
| Safety Data | |
| Hazard Symbols |
Xi: Irritant
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