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CAS No.: | 3703-10-4 |
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Name: | 2,4-Dichloro-6-isopropylamino-1,3,5-triazine |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C6H8Cl2N4 |
Molecular Weight: | 207.062 |
Synonyms: | s-Triazine,2,4-dichloro-6-(isopropylamino)- (6CI,7CI,8CI);2,4-Dichloro-6-[(1-methylethyl)amino]-1,3,5-triazine;2,4-Dichloro-6-isopropylamino-1,3,5-triazine;2,4-Dichloro-6-isopropylamino-s-triazine;2,6-Dichloro-4-isopropylamino-s-triazine;N-Isopropylaminodichlorotriazine;NSC344238;s-Dichloroisopropylaminotriazine; |
Density: | 1.419 g/cm3 |
Melting Point: | 45 °C |
Boiling Point: | 359.8 °C at 760mmHg |
Flash Point: | 171.4 °C |
PSA: | 50.70000 |
LogP: | 2.07170 |
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The 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1-methylethyl)- is an organic compound with the formula C6H8Cl2N4. The IUPAC name of this chemical is 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine. With the CAS registry number 3703-10-4, it is also named as 2,4-Dichloro-6-isopropylamino-1,3,5-triazine.
The other characteristics of 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1-methylethyl)- can be summarized as: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.32; (6)ACD/BCF (pH 7.4): 11.32; (7)ACD/KOC (pH 5.5): 197.68; (8)ACD/KOC (pH 7.4): 197.68; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.588; (13)Molar Refractivity: 49.15 cm3; (14)Molar Volume: 145.8 cm3; (15)Polarizability: 19.48×10-24 cm3; (16)Surface Tension: 55 dyne/cm; (17)Enthalpy of Vaporization: 60.54 kJ/mol; (18)Vapour Pressure: 2.32E-05 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 3; (21)Exact Mass: 206.012602; (22)MonoIsotopic Mass: 206.012602; (23)Topological Polar Surface Area: 50.7; (24)Heavy Atom Count: 12; (25)Complexity: 134.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc1nc(nc(Cl)n1)NC(C)C
2. InChI:InChI=1/C6H8Cl2N4/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H,9,10,11,12)
3. InChIKey:JDAPQMINSZDTBM-UHFFFAOYAT
4. Std. InChI:InChI=1S/C6H8Cl2N4/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H,9,10,11,12)
5. Std. InChIKey:JDAPQMINSZDTBM-UHFFFAOYSA-N