1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1-methylethyl)- supplier

Name
2,4-Dichloro-6-isopropylamino-1,3,5-triazine
EINECS
CAS No. 3703-10-4
Article Data20
CAS DataBase
Density 1.419 g/cm³
Solubility
Melting Point 45 °C
Formula C₆H₈Cl₂N₄
Boiling Point 359.8 °C at 760mmHg
Molecular Weight 207.062
Flash Point 171.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 50.70000
LogP 2.07170

1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1-methylethyl)- Specification

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

Product Name

2,4-Dichloro-6-isopropylamino-1,3,5-triazine

1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1-methylethyl)- Specification

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