2,4-DIAMINO-6-[2-(2-METHYL-1-IMIDAZOLYL)ETHYL]-1,3,5-TRIAZINE CAS#: 38668-46-1; 凯望编码 (ChemWhat Code): 360137

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名2,4-DIAMINO-6-[2-(2-METHYL-1-IMIDAZOLYL)ETHYL]-1,3,5-TRIAZINE
IUPAC Name6-[2-(2-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
分子结构Structure of 2,4-Diamino-6-[2-(2-methyl-1-imidazolyl)ethyl]-1,3,5-triazine CAS 38668-46-1
CAS编号 38668-46-1
EINECS Number254-074-6
MDL NumberMFCD00047350
Beilstein Registry NumberNo data available
别名2,4-diamino-6-[2-(2-methylimidazol-1-yl)ethyl]-1,3,5-triazine
分子式C9H13N7
分子量219.24
InChIInChI=1S/C9H13N7/c1-6-12-3-5-16(6)4-2-7-13-8(10)15-9(11)14-7/h3,5H,2,4H2,1H3,(H4,10,11,13,14,15)
InChI KeyDRQWQDPSMJHCCM-UHFFFAOYSA-N
Canonical SMILESCc1nccn1CCc2nc(nc(n2)N)N
Patent Information
Patent IDTitlePublication Date
EP211121Process for synthesizing 2-vinyl-4,6-diamino-s-triazine1987
US4579946Process for synthesis of 2-vinyl-4,6-diamino-S-triazine1986

Physical Data

AppearanceWhite crystal
SolubilitySlightly soluble in methanol, ethanol, DMF; difficult to dissolve in water.
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Comment (Solubility (MCS))
not completely dissolved in methanol; not completely dissolved in methyl ethyl ketone; not completely dissolved in N,N-dimethylformamide

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Comment (NMR Spectroscopy)
Chemical shifts1HD2O
Spin-spin coupling constants1HD2O1H-1H
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Comment (IR Spectroscopy)
SpectrumKBr4000 – 1600 cm**(-1)

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 2,4-DIAMINO-6-[2-(2-METHYL-1-IMIDAZOLYL)ETHYL]-1,3,5-TRIAZINE CAS 38668-46-1
Route of Synthesis (ROS) of 2,4-DIAMINO-6-[2-(2-METHYL-1-IMIDAZOLYL)ETHYL]-1,3,5-TRIAZINE CAS 38668-46-1
ConditionsYield
With tert-butylamine In acetonitrile at 80℃; for 8h;92%

Safety and Hazards

GHS Hazard StatementsNot Classified
Precautionary Statement CodesP260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder the room temperature and away from light
HS CodeNo data available
StorageImidazole is supplied in 25Kg drum or the user’s appointed packages. It should be stored at room temperature in the original sealed container away from excessive heat and humidity. please avoid acid and oxidant
Shelf Life1 year
Market PriceUSD
Druglikeness
Lipinski rules component
分子量219.249
logP-0.842
HBA7
HBD2
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)108.53
Rotatable Bond (RotB)3
Matching Veber Rules2
Use Pattern
It belongs to imidazole type epoxy resin curing agent and accelerator.
With triazine ring in the molecular structure, has good heat resistance and bright appearance.
It is mainly used in adhesives, laminating materials, coatings, solder resist inks, powder coatings and prepreg materials for aerospace, especially in the field of powder coatings and adhesives.
The solubility of the product in epoxy resin is very low, so it can be used as one component latent curing agent.
The recommendable curing temperature is 120-147 degrees, the latency period is generally 20-40 days, and the gel time at 150 degrees is 100-160 seconds.

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