1,4,5,6-Tetrahydro-1-methyl-N-nitro-5-(phenylmethyl)-1,3,5-triazin-2-amine
Basic information
- CAS
141856-57-7- Standard SMILES
CN1CN(Cc2ccccc2)CN=C1N[N+](=O)[O-]- InChIKey
MZWBOWAWUNHSDJ-UHFFFAOYSA-N- Molecular formula
- C11H15N5O2
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.12257474
Names & identifiers
- Preferred name
- 1,4,5,6-Tetrahydro-1-methyl-N-nitro-5-(phenylmethyl)-1,3,5-triazin-2-amine
- IUPAC
- N-(3-benzyl-1-methyl-2,4-dihydro-1,3,5-triazin-6-yl)nitramide
- English name
- 1,3,5-Triazin-2-amine, 1,4,5,6-tetrahydro-1-methyl-N-nitro-5-(phenylmethyl)-
- Molecular formula
- C11H15N5O2
- Molecular weight
- 249.27
Names & synonyms
141856-57-71,3,5-Triazin-2-amine, 1,4,5,6-tetrahydro-1-methyl-N-nitro-5-(phenylmethyl)-1,4,5,6-TETRAHYDRO-1-METHYL-N-NITRO-5-(PHENYLMETHYL)-1,3,5-TRIAZIN-2-AMINEDTXSID501144933RefChem:415778DTXCID701576522458-660-4604-257-55-benzyl-1-methyl-N-nitro-1,3,5-triazinan-2-imineN-(5-Benzyl-1-methyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)nitramideThiamethoxam Impurity 2E86802
Show more names
Thiacloprid impurityClothianidin Impurity 11,3,5-Triazin-2-amine, 1,4,5,6-tetrahydro- 1-methyl-N-nitro-5-Rizatriptan Impurity 1 Benzoate Salt（Rizatriptan EP Impurity A Benzoate Salt）
Database identifiers
- CAS
141856-57-7- PubChem CID
- 776987
- DTXSID
DTXSID501144933- EC Number
- 458-660-4、604-257-5
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 379 · 379.0±52.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 6.78 · 6.78±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Regulatory InformationREACH registered substance: 5-benzyl-1-methyl-N-nitro-1,3,5-triazinan-2-imine (EC: 458-660-4)
Hazard Classes and Categories
Skin Sens. 1B (100%)
Skin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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