Basic information
- CAS
68556-21-8- Standard SMILES
CC=Nc1ccccc1C(=O)OC- InChIKey
CARKMBGHKLICNI-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- Benzoic acid, 2-(ethylideneamino)-, methyl ester
- IUPAC
- methyl 2-(ethylideneamino)benzoate
- English name
- methyl 2-(ethylideneamino)benzoate
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
Ethylidene methyl anthranilateBenzoic acid, 2-(ethylideneamino)-, methyl esterEINECS 271-480-968556-21-8DTXSID3071692RefChem:565455DTXCID3046162Methyl 2-(ethylideneamino)benzoateSCHEMBL21306903CARKMBGHKLICNI-UHFFFAOYSA-NNS000366592-(Ethylideneamino)benzoic acid methyl ester
Database identifiers
- CAS
68556-21-8- PubChem CID
- 110591
- DTXSID
DTXSID3071692- EC Number
- 271-480-9
- Nikkaji
- J309.214C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 125 · 125-126 °C
- Boiling point
- 299.23 · 299.230±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.032 · 1.032±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.128 · 4.128±0.50(predicted)
- LogP
- 3.658 · 3.658 (est)
- EPA Substance Registry System
- 2 · Benzoic acid, 2-(ethylideneamino)-, methyl ester (68556-21-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-(ethylideneamino)-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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