(Z)-N-(5-Benzyl-1-methyl-1,3,5-triazinan-2-ylidene)nitramide
Basic information
- CAS
141856-57-7- Standard SMILES
CN1CN(Cc2ccccc2)CN/C1=N/[N+](=O)[O-]- InChIKey
MZWBOWAWUNHSDJ-UHFFFAOYSA-N- Molecular formula
- C11H15N5O2
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.12257474
Overview
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Names & identifiers
- Preferred name
- (Z)-N-(5-Benzyl-1-methyl-1,3,5-triazinan-2-ylidene)nitramide
- IUPAC
- (NZ)-N-(5-benzyl-1-methyl-1,3,5-triazinan-2-ylidene)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
SDCCGMLS-0064924.P001BIM-0005713.P001SR-01000217841SR-01000217841-1(Z)-N-(5-Benzyl-1-methyl-1,3,5-triazinan-2-ylidene)nitramideThiacloprid impurityClothianidin Impurity 15-Benzyl-1-methyl-N-nitro-1,3,5-triazinan-2-imine1,3,5-Triazin-2-amine, 1,4,5,6-tetrahydro- 1-methyl-N-nitro-5-1,3,5-Triazin-2-amine, 1,4,5,6-tetrahydro-1-methyl-N-nitro-5-(phenylmethyl)-Rizatriptan Impurity 1 Benzoate Salt（Rizatriptan EP Impurity A Benzoate Salt）
Database identifiers
- CAS
141856-57-7- PubChem CID
- 135411284
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- 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.
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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