-
Name
(2,2,6-trimethyl-4-piperidyl) benzoate
- EINECS
- CAS No. 500-34-5
- Density 1.06g/cm3
- Solubility
- Melting Point 70-71° (corr)
- Formula C15H21 N O2
- Boiling Point 332.5°Cat760mmHg
- Molecular Weight 247.337
- Flash Point 154.9°C
- Transport Information
- Appearance
- Safety Poison by intravenous, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 38.33000
- LogP 3.09130
beta-Eucaine Chemical Properties
Product Name: beta-Eucaine
CAS Registry Number: 500-34-5
IUPAC Name: [(4R,6S)-2,2,6-trimethylpiperidin-4-yl] benzoate
Synonyms: 2,2,6-Trimethyl-4-piperidinol benzoate (ester) ; Betacain ; Eucain B ; Eucaine B ; Eukain B ; NSC 49860 ; UNII-7X49L994AY ; beta-Eucaine
Systematic Name: 4-Piperidinol, 2,2,6-trimethyl-, benzoate (ester) ; 4-Piperidinol, 2,2,6-trimethyl-, benzoate (ester),stereoisomer (VAN) (8CI)
Molecular Formula: C15H21NO2
Molecular Weight: 247.3327
XLogP3-AA: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Surface Tension: 39.4 dyne/cm
Density: 1.06 g/cm3
Flash Point: 154.9 °C Enthalpy of
Vaporization: 57.53 kJ/mol
Boiling Point: 332.5 °C at 760 mmHg
Vapour Pressure: 0.000145 mmHg at 25°C
Following is the molecular structure of beta-Eucaine (CAS NO.500-34-5) is:
beta-Eucaine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | intravenous | 10mg/kg (10mg/kg) | Physiological Reviews. Vol. 12, Pg. 190, 1932. | |
| guinea pig | LDLo | intraperitoneal | 18mg/kg (18mg/kg) | Physiological Reviews. Vol. 12, Pg. 190, 1932. | |
| guinea pig | LDLo | intravenous | 30mg/kg (30mg/kg) | Physiological Reviews. Vol. 12, Pg. 190, 1932. | |
| guinea pig | LDLo | subcutaneous | 310mg/kg (310mg/kg) | Physiological Reviews. Vol. 12, Pg. 190, 1932. | |
| mouse | LDLo | intravenous | 71mg/kg (71mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | "Vergleichend-pharmakologische Untersuchungen ueber die haemolytische Wirkung und die Toxizitat der Lokalanaesthetika, Dissertation," Walther, M., Pharmakologischen Instit Martin Luther-Universitat Halle-Wittenburg, Ger. Dem. Rep., 1936Vol. -, Pg. -, 1936. |
| rabbit | LDLo | subcutaneous | 400mg/kg (400mg/kg) | Physiological Reviews. Vol. 12, Pg. 190, 1932. | |
| rat | LDLo | intravenous | 15mg/kg (15mg/kg) | Physiological Reviews. Vol. 12, Pg. 190, 1932. |
beta-Eucaine Safety Profile
Poison by intravenous, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
beta-Eucaine 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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