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ALAPROCLATE HYDROCHLORIDE structure
ALAPROCLATE HYDROCHLORIDE structure

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