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Basic Information
CAS No.: 3690-12-8
Name: bacimethrin
Article Data: 7
Molecular Structure:
Molecular Structure of 3690-12-8 (bacimethrin)
Formula: C6H9N3O2
Molecular Weight: 155.156
Synonyms: 5-Pyrimidinemethanol,4-amino-2-methoxy-;4-Amino-2-methoxy-5-pyrimidylmethanol;4-Amino-5-(hydroxymethyl)-2-methoxypyrimidine;Bacimethrin;Bacimethrine;Bacimetrin;NSC 66577;
Density: 1.337 g/cm3
Melting Point: 174℃ (decomposition) (methanol )
Boiling Point: 394.9 °Cat760mmHg
Flash Point: 192.7 °C
PSA: 81.26000
LogP: 0.14090
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Chemistry

IUPAC Name: (4-Amino-2-methoxypyrimidin-5-yl)methanol
Following is the structure of 4-Amino-2-methoxy-5-pyrimidinemethanol (CAS NO.3690-12-8):

                
Molecular Formula: C6H9N3O2
Molecular Weight: 155.1546 g/mol
Index of Refraction: 1.602
Molar Refractivity: 39.8 cm3
Molar Volume: 115.9 cm3
Density: 1.337 g/cm3
XLogP3-AA: -0.2
H-Bond Donor: 2
H-Bond Acceptor: 5
Flash Point: 192.7 °C
Surface Tension: 66.8 dyne/cm
Enthalpy of Vaporization: 68.03 kJ/mol
Boiling Point of 4-Amino-2-methoxy-5-pyrimidinemethanol (CAS NO.3690-12-8): 394.9 °C at 760 mmHg
Vapour Pressure of 4-Amino-2-methoxy-5-pyrimidinemethanol (CAS NO.3690-12-8): 6.03E-07 mmHg at 25 °C
Canonical SMILES: COC1=NC=C(C(=N1)N)CO
InChI: InChI=1S/C6H9N3O2/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3,(H2,7,8,9)
InChIKey: ZPNHGSNYBLXGOL-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Antibiotics, Series A. Vol. 15, Pg. 191, 1962.
mouse LD50 intravenous 300mg/kg (300mg/kg)   Journal of Antibiotics, Series A. Vol. 15, Pg. 191, 1962.

Safety Profile

Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

 4-Amino-2-methoxy-5-pyrimidinemethanol , its CAS NO. is 3690-12-8,the synonyms is 2-Methoxy-4-amino-5-hydroxymethylpyrimidine ; 4-Amino-5-hydroxymethyl-2-methoxypyrimidine ; Bacimethrin ; Bacimethrine ; Bacimetrin ; NSC 66577 ; 5-Pyrimidinemethanol, 4-amino-2-methoxy- . Its classification code is Drug / Therapeutic Agent.