1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate
Basic information
- CAS
18856-69-4- Standard SMILES
COC(=O)C(=CN(C)C)C(=O)OC- InChIKey
XGBHOLSNBZBTQK-UHFFFAOYSA-N- Molecular formula
- C8H13NO4
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.0844579
Names & identifiers
- Preferred name
- 1,3-Dimethyl 2-[(dimethylamino)methylidene]propanedioate
- IUPAC
- dimethyl 2-(dimethylaminomethylidene)propanedioate
- English name
- N,N-Dimethylaminomethylenemalonic acid dimethyl ester
- Molecular formula
- C8H13NO4
- Molecular weight
- 187.19
Names & synonyms
18856-69-41,3-dimethyl 2-[(dimethylamino)methylidene]propanedioateN,N-DIMETHYLAMINOMETHYLENEMALONICACIDDIMETHYLESTERN,N-Dimethylaminomethylenemalonic acid dimethyl esterdimethyl 2-(dimethylaminomethylidene)propanedioateDimethyl ((dimethylamino)methylene)malonateMFCD00144979Propanedioic acid, 2-[(dimethylamino)methylene]-, 1,3-dimethyl esterDimethyl [(dimethylamino)methylene]malonateDimethyl [(dimethylamino)methylidene]propanedioateSCHEMBL365556DTXSID50343974
Show more names
DimethylaminomethylenemalonicaciddimethylesterMETHYL 3-(DIMETHYLAMINO)-2-(METHOXYCARBONYL)PROPENOATE2-[(dimethylamino)methylene]Propanedioic acid 1,3-dimethyl ester
AKOS004906446dimethyl (dimethylaminomethylene)malonateBS-22004DB-220383dimethyl 2-((dimethylamino)methylene)malonatedimethyl 2-(dimethylaminomethylene)propanedioateDimethyl 2-[(dimethylamino)methylene]malonate #Dimethylaminomethylenemalonicaciddimethylester; 98%
Database identifiers
- CAS
18856-69-4- PubChem CID
- 593603
- DTXSID
DTXSID50343974- Nikkaji
- J256.522F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
2 records
Compound notes
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