Basic information
- CAS
72727-68-5- Standard SMILES
COC(=O)c1ccccc1N=CC(C)CC1CC2CCC1C2- InChIKey
OKFCAIWJERUNHP-UHFFFAOYSA-N- Molecular formula
- C19H25NO2
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.18852904
Names & identifiers
- Preferred name
- Benzoic acid, 2-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]-, methyl ester
- IUPAC
- methyl 2-[[3-(2-bicyclo[2.2.1]heptanyl)-2-methylpropylidene]amino]benzoate
- English name
- methyl 2-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]benzoate
- Molecular formula
- C19H25NO2
- Molecular weight
- 299.41
Names & synonyms
Benzoic acid, 2-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]-, methyl esterDTXSID20888180Benzoic acid, 2-((3-bicyclo(2.2.1)hept-2-yl-2-methylpropylidene)amino)-, methyl esterRefChem:565470DTXCID50102746272727-68-5EINECS 276-801-6N-(2-Methyl-3-(bicyclo(2.2.1)hept-2-yl)propylidene)anthranilic acid, methyl esterOKFCAIWJERUNHP-UHFFFAOYSA-NNS00062059Methyl 2-((3-bicyclo(2.2.1)hept-2-yl-2-methylpropylidene)amino)benzoateMethyl 2-{[3-(bicyclo[2.2.1]heptan-2-yl)-2-methylpropylidene]amino}benzoate
Show more names
methyl 2-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]benzoate2-[3-[Bicyclo[2.2.1]heptan-2-yl]-2-methylpropylideneamino]benzoic acid methyl ester
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 437.971 · 437.971±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.153 · 1.153±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.043 · 4.043±0.50(predicted)
- EPA Substance Registry System
- 2 · Benzoic acid, 2-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]-, methyl ester (72727-68-5)
- 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-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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