Basic information
- CAS
13732-26-8- Standard SMILES
COC(=O)C(=NNc1ccccc1)C(=O)OC- InChIKey
VUPNAUFFUWYQSS-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970687
Names & identifiers
- Preferred name
- Dimethyl (2-phenylhydrazinylidene)propanedioate
- IUPAC
- dimethyl 2-(phenylhydrazinylidene)propanedioate
- English name
- 2-(Phenylhydrazono)malonic acid dimethyl ester
- Molecular formula
- C11H12N2O4
- Molecular weight
- 236.22
Names & synonyms
13732-26-8dimethyl (2-phenylhydrazinylidene)propanedioateDTXSID10350624RefChem:338373DTXCID10301691Dimethyl 2-(2-phenylhydrazono)malonatedimethyl 2-(phenylhydrazinylidene)propanedioatePropanedioic acid, (phenylhydrazono)-, dimethyl ester1,3-dimethyl 2-(2-phenylhydrazin-1-ylidene)propanedioateALBB-036588HTS04151Dimethyl2-(2-phenylhydrazono)malonate
Show more names
AURORA KA-3628DIMETHYL 2-(PHENYLHYDRAZONO)MALONATE2-(Phenylhydrazono)malonic acid dimethyl ester
AKOS001724498DIMETHYL (PHENYLHYDRAZONO)MALONATEdimethyl 2-(phenylhydrazono)propanedioateST4020410CS-0361290H49351dimethyl 2-[(phenylamino)azamethylene]propane-1,3-dioatePropanedioic acid, 2-(2-phenylhydrazinylidene)-, 1,3-dimethyl ester
Database identifiers
- CAS
13732-26-8- PubChem CID
- 684262
- DTXSID
DTXSID10350624
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 80 °C · 80 °C(Solv: methanol (67-56-1))
- Boiling point
- 326.3 · 326.3±25.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 7.72 · 7.72±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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