Basic information
- CAS
80197-28-0- Standard SMILES
COc1cc(C(=O)NCc2cccc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC- InChIKey
DMBWRYJLADYFQW-UHFFFAOYSA-N- Molecular formula
- C27H31N3O8
- Average molar mass
- 525.5 g/mol
- Monoisotopic mass
- 525.21111496
Names & identifiers
- Preferred name
- Benzamide, N,N'-((2,6-pyridylidene)dimethylene)bis(3,4,5-trimethoxy-
- IUPAC
- 3,4,5-trimethoxy-N-[[6-[[(3,4,5-trimethoxybenzoyl)amino]methyl]-2-pyridinyl]methyl]benzamide
- English name
- 2,6-Bis(3,4,5-trimethoxybenzoylaminomethyl)pyridine
- Molecular formula
- C27H31N3O8
- Molecular weight
- 525.55
Names & synonyms
2,6-Bis(3,4,5-trimethoxybenzoylaminomethyl)pyridine80197-28-0BRN 5196884BENZAMIDE, N,N'-((2,6-PYRIDYLIDENE)DIMETHYLENE)BIS(3,4,5-TRIMETHOXY-DTXSID00230148N,N'-((2,6-Pyridylidene)dimethylene)bis(3,4,5-trimethoxybenzamide)RefChem:321930DTXCID00152639N,N'-[Pyridine-2,6-diylbis(methylene)]bis(3,4,5-trimethoxybenzamide)STK771062AKOS001747342N,N'-(pyridine-2,6-diyldimethanediyl)bis(3,4,5-trimethoxybenzamide)
Show more names
N,N'-[(2,6-Pyridinediyl)dimethylene]bis(3,4,5-trimethoxybenzamide)Benzamide, N,N'-[2,6-pyridinediylbis(methylene)]bis[3,4,5-trimethoxy- (9CI)
3,4,5-TRI-MEO-N-((6-(((3,4,5-TRIMETHOXYBENZOYL)AMINO)ME)2-PYRIDINYL)ME)BENZAMIDE
Database identifiers
- CAS
80197-28-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 657
Physicochemical properties
- Boiling point
- 635.8 · 635.8±55.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- 12.27 · 12.27±0.46(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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