ALAPROCLATE HYDROCHLORIDE
- Iupac Name：tetrabutylazanium;bromide
- CAS No.: 1643-19-2
- Molecular Weight：322.37
- Modify Date.: 2022-03-26 18:02
1. Names and Identifiers
- 1.1 Name
- ALAPROCLATE HYDROCHLORIDE
- 1.2 Synonyms
[1-(4-chlorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate,hydrochloride 2-(4-chlorophenyl)-1,1-dimethylethyl2-aminopropanoatehydrochloride D,L-ALANINE HYDROCHLORIDE DL-ALANINE 2-(4-CHLOROPHENYL)-1,1-DIMETHYLETHYL ESTER HYDROCHLORIDE dl-alanine,p-chloro-alpha,alpha-dimethylphenethylester,hydrochloride gea-654hydrochloride
- 1.3 CAS No.
- 1643-19-2
- 1.4 CID
- 74236
- 1.5 EINECS(EC#)
- 206-104-4
- 1.6 Molecular Formula
- AsCuHO3 (isomer)
- 1.7 Inchi
- InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
- 1.8 InChkey
- JRMUNVKIHCOMHV-UHFFFAOYSA-M
- 1.9 Canonical Smiles
- CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
- 1.10 Isomers Smiles
- CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
2. Properties
- 3.1 Density
- 1.288
- 3.1 Melting point
- 102-106 °C(lit.)
- 3.1 Refractive index
- n20/D 1.422
- 3.1 Precise Quality
- 242.28500
- 3.1 PSA
- 0.00000
- 3.1 logP
- 5.00360
- 3.1 Solubility
- H2O: soluble
- 3.2 Color/Form
- white
- 3.3 Water Solubility
- H2O: soluble
3. Safety and Handling
- 4.1 Symbol
- GHS07
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- 36/37/38-22
- 4.1 Safety Statements
- 26-36-37/39
- 4.1 Hazard Declaration
- H315-H319-H335
- 4.1 RIDADR
- PRI
- 4.1 Caution Statement
- P261-P305 + P351 + P338
- 4.1 WGK Germany
- 3
- 4.1 Safety
- Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
- 4.2 Specification
-
Safety Statements:22-36/37/39
22:Do not breathe dust
36/37/39:Wear suitable protective clothing, gloves and eye/face
protection
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
Skin irritation, Category 2
Eye irritation, Category 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Other Information
- 5.0 用途
-
Alaproclate HCl is a selective serotonin reuptake inhibitor (SSRI). It inhibits depletion of serotonin (5-HT) induced by 4-methyl-α-ethyl-m-tyramine in rat cerebral cortex, hippocampus, hypothalamus, and striatum. Alaproclate inhibits NMDA-evoked currents and depolarization-induced voltage-dependent potassium currents in rat hippocampal neurons.
6. Computational chemical data
- Molecular Weight: 322.37g/mol
- Molecular Formula: AsCuHO3
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 321.20311
- Monoisotopic Mass: 321.20311
- Complexity: 116
- Rotatable Bond Count: 12
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 0
- Heavy Atom Count: 18
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADcfB6AAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACADBAAQCAAMAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAgAAEAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Question & Answer
-
Tetrabutylammonium bromide (TBAB), a commonly used phase transfer catalyst (PTC), is a quaternary ammonium salt with a bromide counterion. Shaped as white crystals or powders, TBAB is deliquescent and have a special odor, soluble in water, alcohol and acetone. widely used in organic synthesis, TBAB...
9. Realated Product Infomation
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