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

HCID 19453

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Basic information

CAS: 3703-10-4
Standard SMILES: CC(C)Nc1nc(Cl)nc(Cl)n1
InChIKey: JDAPQMINSZDTBM-UHFFFAOYSA-N
Molecular formula: C6H8Cl2N4
Average molar mass: 207.06 g/mol
Monoisotopic mass: 206.0126017

Names & identifiers

Preferred name: 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1-methylethyl)-
IUPAC: 4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
English name: 2,4-Dichloro-6-isopropylamino-1,3,5-triazine
Molecular formula: C6H8Cl2N4
Molecular weight: 207.06

Names & synonyms

3703-10-41,3,5-Triazin-2-amine, 4,6-dichloro-N-(1-methylethyl)-DTXSID20190533NSC 3442384,6-Dichloro-N-(1-methylethyl)-1,3,5-triazin-2-amineRefChem:72300DTXCID601130242,4-DICHLORO-6-ISOPROPYLAMINO-1,3,5-TRIAZINE4,6-dichloro-N-isopropyl-1,3,5-triazin-2-amine4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine4,6-dichloro-N-(propan-2-yl)-1,3,5-triazin-2-amine2,4-DICHLORO-6-ISOPROPYLAMINO-S-TRIAZINE

Show more names

(4,6-dichloro-s-triazin-2-yl)-isopropyl-amine2-Isopropylamino-4,6-dichloro-s-triazine@100 μg/mL in MeOH2-Isopropylamino-4,6-dichloro-s-triazine, 100 μg/mL in Acetonitrile

NSC344238SCHEMBL1923400JDAPQMINSZDTBM-UHFFFAOYSA-NMFCD03093115AKOS012165614NSC-344238DB-0823432,4-dichloro-6-(isopropyl-amino)-s-triazine

Database identifiers

CAS: 3703-10-4
PubChem CID: 19453
DTXSID: DTXSID20190533
Nikkaji: J33.224K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 134

Physicochemical properties

Melting point: 45 °C · 45 °C
Boiling point: 359.8 · 359.8±25.0 °C(Predicted)
Density: 1.419 · 1.419±0.06 g/cm3(Predicted)
solubility: Chloroform, Dichloromethane, Dimethylformamide, Ethyl Acetate, Tetrahydrofuran
form: Solid
pka: 0.89 · 0.89±0.10(Predicted)
color: White

Chemistry & industry

Applications · 1 item

Uses2,4-Dichloro-6-isopropylamino-1,3,5-triazine is an intermediate in the synthesis of Atrazine-d5 (A794602). Atrazine-d5 is a labelled selective herbicide. Potential symptoms of overexposure are irritation of eyes and skin; dermatitis, skin sensitization; dyspnea, weakness, incoordination, salivation; hypothermia and liver injury.