Basic information
- CAS
3004-70-4- Standard SMILES
CCN(CC)c1nc(NC(C)C)nc(OC)n1- InChIKey
STMMVKNOSKBEEI-UHFFFAOYSA-N- Molecular formula
- C11H21N5O
- Average molar mass
- 239.32 g/mol
- Monoisotopic mass
- 239.17461031
Names & identifiers
- Preferred name
- 2-Methoxy-4-isopropylamino-6-diethylamino-S-triazine
- IUPAC
- 2-N,2-N-diethyl-6-methoxy-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
- English name
- IPATONE
- Molecular formula
- C11H21N5O
- Molecular weight
- 239.32
Names & synonyms
IPATONECaswell No. 3342-Methoxy-4-isopropylamino-6-diethylamino-s-triazineUNII-39AXP73C4Y2-(Diethylamino)-4-(isopropylamino)-6-methoxy-s-triazineEPA Pesticide Chemical Code 080812BRN 061626539AXP73C4YG-31,717D 31,7172-Diethylamino-4-isopropylamino-6-methoxy-s-triazine1,3,5-Triazine-2,4-diamine, N,N-diethyl-6-methoxy-N'-(1-methylethyl)-
Show more names
D-317172-Diethylamino-4-isopropylamino-6-methoxy-1,3,5-triazineN,N-Diethyl-6-methoxy-N'-isopropyl-1,3,5-triazine-2,4-diamine2-N,2-N-Diethyl-6-methoxy-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, N2,N2-diethyl-6-methoxy-N4-(1-methylethyl)-
s-Triazine, 2-(diethylamino)-4-(isopropylamino)-6-methoxy-DTXSID0041301G-31717DIETHYLAMINO)-4-(ISOPROPYLAMINO)-6-METHOXY-S-TRIAZINE, 2-(RefChem:197827DTXCID80213011,3,5-Triazine-2,4-diamine, N,N-diethyl-6-methoxy-N'-(1-methylethyl)-(9CI)3004-70-4
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 381.98 °C · 381.98°C (rough estimate)
- Density
- 1.0777 · 1.0777 (rough estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
- pka
- 4.33 · 4.33±0.10(Predicted)
- Water Solubility
- 0.1 g/L · 0.1g/L(20 ºC)
- FDA UNII
- 39 AXP73C4Y · 39AXP73C4Y
- EPA Substance Registry System
- 2 · 2-(Diethylamino)-4-(isopropylamino)-6-methoxy-s-triazine (3004-70-4)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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