Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate
Basic information
- CAS
53241-90-0- Standard SMILES
CCOC(=O)C(=CNc1ccc(OC)nc1)C(=O)OCC- InChIKey
FJDMNLFVZHBIHR-UHFFFAOYSA-N- Molecular formula
- C14H18N2O5
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12157168
Names & identifiers
- Preferred name
- Diethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonate
- IUPAC
- diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate
- English name
- 2-[(6-Methoxypyridin-3-ylamino)methylene]malonic acid diethyl ester
- Molecular formula
- C14H18N2O5
- Molecular weight
- 294.3
Names & synonyms
Diethyl 2-{[(6-methoxypyridin-3-yl)amino]methylene}malonateDiethyl 2-(((6-methoxypyridin-3-yl)amino)methylene)malonateDiethyl 2-([(6-methoxypyridin-3-yl)amino]methylene)malonateDiethyl 2-[[(6-methoxypyridin-3-yl)amino]methylene]malonateRefChem:587084696-351-853241-90-02-[(6-methoxypyridin-3-ylamino)methylene]malonic acid diethyl esterdiethyl 2-[[(6-methoxypyridin-3-yl)amino]methylidene]propanedioateMFCD08457989SCHEMBL622761Diethyl [[(2-methoxypyrid-5-yl)amino]methylidene]malonate
Show more names
2-(((6-methoxypyridine-3-yl)amino)methylene)propyldiacidiethyl esterPropanedioic acid, 2-[[(6-methoxy-3-pyridinyl)amino]methylene]-, 1,3-diethyl ester
DTXSID303472182-[(6-METHOXY(PYRIDIN-3-YL)AMINO)METHYLENE]MALONIC ACID DIETHYL ESTERAKOS016028564SS-4359DB-333948CS-0151911D80775F689633
Database identifiers
- CAS
53241-90-0- PubChem CID
- 619151
- DTXSID
DTXSID30347218- EC Number
- 696-351-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 90 °C · 90 °C
- Boiling point
- 372.3 · 372.3±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.01 · 3.01±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H312-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
- HS Code
- 2933399990 · 2933399990
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]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H312-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
24 records
Compound notes
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