N-(2-(2-(2-Furylmethylene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide
Basic information
- CAS
223676-17-3- Standard SMILES
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccco2)cc1OC- InChIKey
YJHACQYJACPSDQ-GIJQJNRQSA-N- Molecular formula
- C16H17N3O5
- Average molar mass
- 331.32 g/mol
- Monoisotopic mass
- 331.11682065
Names & identifiers
- Preferred name
- N-(2-(2-(2-Furylmethylene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide
- IUPAC
- N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
- English name
- SALOR-INT L462675-1EA
- Molecular formula
- C16H17N3O5
- Molecular weight
- 331.32
Names & synonyms
223676-17-3N-(2-(2-(2-FURYLMETHYLENE)HYDRAZINO)-2-OXOETHYL)-3,4-DIMETHOXYBENZAMIDERefChem:824437657-985-0N-(2-(2-(Furan-2-ylmethylene)hydrazinyl)-2-oxoethyl)-3,4-dimethoxybenzamideMLS000912163CHEMBL3192712SCHEMBL14583847YJHACQYJACPSDQ-GIJQJNRQSA-NAKOS001605095SMR000619669N2-Veratroylglycine N'-furfurylidenehydrazide
Show more names
SALOR-INT L462675-1EA
SR-01000106932SR-01000106932-1N-(2-[(2E)-2-(2-Furylmethylene)hydrazino]-2-oxoethyl)-3,4-dimethoxybenzamide #
Database identifiers
- CAS
223676-17-3- PubChem CID
- 9603365
- ChEMBL
CHEMBL3192712- EC Number
- 657-985-0
- Nikkaji
- J1.094.373F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Melting point
- 110.5 · 110.5-111 °C
- Density
- 1.276 · 1.276±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.183 · 12.183±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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