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147-61-5

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Basic Information
CAS No.: 147-61-5
Name: 5-HYDROXYMETHYL-6-METHYLURACIL
Article Data: 15
Molecular Structure:
Molecular Structure of 147-61-5 (5-HYDROXYMETHYL-6-METHYLURACIL)
Formula: C6H8 N2 O3
Molecular Weight: 156.141
Synonyms: Uracil,5-(hydroxymethyl)-6-methyl- (6CI,8CI); 4-Methyl-5-hydroxymethyluracil;5-Hydroxymethyl-4-methyluracil; 5-Hydroxymethyl-6-methyluracil; NSC 13202; NSC667247; Pentoxil; Pentoxyl
Density: 1.308g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Slightly toxic by ingestion. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
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Chemistry

Molecule structure of 5-Hydroxymethyl-4-methyluracil (CAS NO.147-61-5):

IUPAC Name: 5-(Hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione 
Molecular Weight: 156.13932 g/mol
Molecular Formula: C6H8N2O3 
Density: 1.308 g/cm3
Index of Refraction: 1.514
Molar Refractivity: 35.93 cm3
Molar Volume: 119.3 cm3
Polarizability: 14.24×10-24 cm3
Surface Tension: 42.4 dyne/cm
XLogP3-AA: -0.9
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 17
Exact Mass: 156.053492
MonoIsotopic Mass: 156.053492
Topological Polar Surface Area: 78.4
Heavy Atom Count: 11
Complexity: 244
Canonical SMILES: CC1=C(C(=O)NC(=O)N1)CO
InChI: InChI=1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11)
InChIKey: XBAVGYMDOXCWQU-UHFFFAOYSA-N
Classification Code of 5-Hydroxymethyl-4-methyluracil (CAS NO.147-61-5): Drug / Therapeutic Agent; Reproductive Effect

Toxicity Data With Reference

1.    

par-rat TDLo:500 mg/kg (female 10D post):TER AAGEAA 65(11),19,73
2.    

orl-rat LD50:5 g/kg

     RPTOAN    Russian Pharmacology and Toxicology. Translation of FATOAO. 51 (1988),100.

Safety Profile

HazardClass: IRRITANT
Slightly toxic by ingestion. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.

Specification

 5-Hydroxymethyl-4-methyluracil (CAS NO.147-61-5) is also named as 4-Methyl-5-hydroxymethyluracil ; 4-Methyl-5-oxymethyluracil ; 5-(Hydroxymethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione ; 5-Hydroxymethyl-6-methyluracil ; EINECS 205-694-0 ; NSC 13202 ; Pentoksil ; Pentoxil ; Pentoxyl ; Pentoxyuracil ; 2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-6-methyl- (9CI) ; Uracil, 5-(hydroxymethyl)-6-methyl- .