Basic information
- CAS
6937-16-2- Standard SMILES
CCOC(=O)CCC[NH3+].[Cl-]- InChIKey
CXVQSUBJMYZELD-UHFFFAOYSA-N- Molecular formula
- C6H14ClNO2
- Average molar mass
- 167.63 g/mol
- Monoisotopic mass
- 167.0713064
Overview
See also: 4-Aminobutyrate ethyl hydrochloride (preferred).
Names & identifiers
- Preferred name
- Ethyl gamma-aminobutyrate hydrochloride
- IUPAC
- (4-ethoxy-4-oxobutyl)azanium chloride
- English name
- Ethyl 4-Aminobutyrate Hydrochloride
- Molecular formula
- C6H14ClNO2
- Molecular weight
- 167.63
Names & synonyms
(4-ethoxy-4-oxobutyl)azanium;chlorideDF 503Eegabagamma-Aminobutyric acid ethyl ester hydrochlorideButanoic acid, 4-amino-, ethyl ester, hydrochlorideethyl 4-aminobutanoate, chlorideNSC40245EINECS 230-063-1NSC 40245Ethyl gamma-aminobutyrate hydrochlorideEthylgamma-aminobutyrate, hydrochlorideEthyl-gamma-aminobutyrate, hydrochloride
Show more names
ethyl 4-aMinobutanoate hydrochloridedf503γ-Abu-Oet.HCl4-Abu-OEt·HClH-GABA-OEt.HClL-4-Abu-OEt·HClTIMTEC-BB SBB003878Ethyl-4-aminobutyrateHCl4-AminobutyricacidethylesterHCl
BUTYRIC ACID, 4-AMINO-, ETHYL ESTER, HYDROCHLORIDEAKOS024348825ST50824920
Database identifiers
- CAS
6937-16-2
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 83.1
Physicochemical properties
- Melting point
- 89 · 89-91 °C(lit.)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Almost white
- Sensitive
- Hygroscopic
- BRN
- 3911780 · 3911780
- InChI
- 1S/C6H13NO2.ClH/c1-2-9-6(8)4-3-5-7;/h2-5,7H2,1H3;1H
- InChIKey
- CXVQSUBJMYZELD-UHFFFAOYSA-N
- SMILES
- Cl.CCOC(=O)CCCN
- CAS DataBase Reference
- 6937 · 6937-16-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- ES6650000
- hs_code
- 29224999
- Toxicity
- LD50 intraperitoneal in mouse: 1350mg/kg
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl 4-aminobutyrate hydrochloride (4-Abu-Oet·HCl) has various potential applications. As a derivative of amino acids, it may play a significant role in biochemical and pharmaceutical research, especially in the design and synthesis of new drugs or bioactive compounds. Additionally, it could be utilized as a building block in organic synthesis to create organic compounds with specific structures and functionalities.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
0 records
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Compound notes
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