Identification |
Name: | 4-Piperidinol,2,2,6-trimethyl-, 4-benzoate |
Synonyms: | 4-Piperidinol,2,2,6-trimethyl-, benzoate (ester) (9CI); 4-Piperidinol, 2,2,6-trimethyl-,benzoate (ester), stereoisomer (8CI); Eucaine (6CI); Betacain; Betacaine;Eucain B; Eucaine B; NSC 49860; b-Eucaine |
CAS: | 500-34-5 |
Molecular Formula: | C15H21 N O2 |
Molecular Weight: | 247.37 |
InChI: | InChI=1/C15H21NO2/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3/t11-,13+/m0/s1 |
Molecular Structure: |
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Properties |
Flash Point: | 154.9°C |
Boiling Point: | 332.5°Cat760mmHg |
Density: | 1.06g/cm3 |
Refractive index: | 1.532 |
Specification: |
Descriptors computed from structure, you can know some information about beta-Eucaine (CAS NO.500-34-5) :
Canonical SMILES: CC1CC(CC(N1)(C)C)OC(=O)C2=CC=CC=C2
Isomeric SMILES: C[C@H]1C[C@H](CC(N1)(C)C)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C15H21NO2/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3/t11-,13+/m0/s1
InChIKey: ZYHGIAPHLSTGMX-WCQYABFASA-N
Exact Mass: 247.157229
MonoIsotopic Mass: 247.157229
Topological Polar Surface: Area 38.3
Heavy Atom Count: 18
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Flash Point: | 154.9°C |
Safety Data |
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