3-((Carboxymethyl)phenylamino)-2-hydroxypropyl 2-methyl-2-propenoate
Basic information
- CAS
4896-81-5- Standard SMILES
C=C(C)C(=O)OCC(O)CN(CC(=O)O)c1ccccc1- InChIKey
GPLACOONWGSIIP-UHFFFAOYSA-N- Molecular formula
- C15H19NO5
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.12632271
Overview
dental coupling agent which bonds filling material to tooth
Names & identifiers
- Preferred name
- 3-((Carboxymethyl)phenylamino)-2-hydroxypropyl 2-methyl-2-propenoate
- IUPAC
- 2-(N-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]anilino)acetic acid
- English name
- N-[2-hydroxy-3-[(2-methyl-1-oxoallyl)oxy]propyl]-N-phenylglycine
- Molecular formula
- C15H19NO5
- Molecular weight
- 293.31506
Names & synonyms
Npg-gma4896-81-5IUP28X02CMGlycine, N-(2-hydroxy-3-((2-methyl-1-oxo-2-propenyl)oxy)propyl)-N-phenyl-RefChem:9108483-((Carboxymethyl)phenylamino)-2-hydroxypropyl 2-methyl-2-propenoateCervidentN-(2-hydroxy-3-methacryloxypropyl)-N-phenylglycineN-[2-HYDROXY-3-[(2-METHYL-1-OXOALLYL)OXY]PROPYL]-N-PHENYLGLYCINEN-phenylglycine glycidyl methacrylateUNII-IUP28X02CMN-(2-Hydroxy-3-((2-methyl-1-oxoallyl)oxy)propyl)-N-phenylglycine
Show more names
N-[2-Hydroxy-3-[(2-methyl-1-oxo-2-propenyl)oxy]propyl]-N-phenylglycine2-Propenoic acid, 2-methyl-, 3-[(carboxymethyl)phenylamino]-2-hydroxypropyl ester
EINECS 225-519-1SCHEMBL65014DTXSID30964146NS00044472Q27280904N-((3-METHACRYLOXY-2-HYDROXY)PROPYL)-N-PHENYL GLYCINEN-((3-METHACRYLOYLOXY)-2-HYDROXYPROPYL)-N-PHENYLGLYCINEGLYCINE, N-(2,3-DIHYDROXYPROPYL)-N-PHENYL-, 3-METHACRYLATE
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Boiling point
- 515.4 · 515.4±50.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 2.08 · 2.08±0.10(Predicted)
- FDA UNII
- 28 X02CM · IUP28X02CM
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
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Related reactions
1 records
Compound notes
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