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1610-17-9

Basic Information
CAS No.: 1610-17-9
Name: ATRATON
Article Data: 7
Molecular Structure:
Molecular Structure of 1610-17-9 (ATRATON)
Formula: C9H17 N5 O
Molecular Weight: 211.267
Synonyms: 1,3,5-Triazine-2,4-diamine,N-ethyl-6-methoxy-N'-(1-methylethyl)- (9CI); s-Triazine, 2-(ethylamino)-4-(isopropylamino)-6-methoxy-(6CI,8CI); 2-Ethylamino-4-isopropylamino-6-methoxy-s-triazine;2-Methoxy-4-ethylamino-6-isopropylamino-s-triazine;2-Methoxy-4-isopropylamino-6-ethylamino-1,3,5-triazine;2-Methoxy-4-isopropylamino-6-ethylamino-s-triazine;4-Ethylamino-6-isopropylamino-2-methoxy-s-triazine;6-Ethylamino-4-isopropylamino-2-methoxy-1,3,5-triazine; Atraton; Atratone; G32293; Gesatamin; NSC 163045
Density: 1.161g/cm3
Boiling Point: 352.2°Cat760mmHg
Flash Point: 166.8°C
Solubility: 1.67g/L(25 oC)
Hazard Symbols: Xn,T,F
Risk Codes: 22-39/23/24/25-23/24/25-11
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
PSA: 71.96000
LogP: 1.27830
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Chemistry

Empirical Formula of Atratone (CAS NO.1610-17-9): C9H17N5O
Molecular Weight: 211.2642 g/mol
EINECS: 216-547-5 
Index of Refraction: 1.576
Density: 1.161 g/cm3
Flash Point: 166.8 °C
Enthalpy of Vaporization: 59.7 kJ/mol
Boiling Point: 352.2 °C at 760 mmHg
Vapour Pressure: 3.9E-05 mmHg at 25 °C
Storage temp.: Approx 4 °C
The structure of Atratone (CAS NO.1610-17-9):
                           
IUPAC Name: 4-N-Ethyl-6-methoxy-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Canonical SMILES: CCNC1=NC(=NC(=N1)OC)NC(C)C
InChI: InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
InChIKey: PXWUKZGIHQRDHL-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1465 mg/kg

    FMCHA2    Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1983,C19.
2.    

orl-mus LD50:905 mg/kg

    85DPAN    Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel Werner Perkow,Berlin, Germany.: Verlag Paul Parey,1971/76.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes of Atratone (CAS NO.1610-17-9): HarmfulXn,ToxicT,FlammableF
Risk Statements: 22-39/23/24/25-23/24/25-11 
R11:Highly flammable. 
R22:Harmful if swallowed. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R39:Danger of very serious irreversible effects.
Safety Statements: 22-24/25-45-24-16-7 
S7:Keep container tightly closed. 
S16:Keep away from sources of ignition. 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes. 
S24:Avoid contact with skin. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

Specification

 Atratone ,its cas register number is 1610-17-9. It also can be called 1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-N'-(1-methylethyl)- (9CI) ; Atraton ; and s-Triazine, 2-ethylamino-4-isopropylamino-6-methoxy- .