Basic information
- CAS
3060-41-1- Standard SMILES
[Cl-].[NH3+]CC(CC(=O)O)c1ccccc1- InChIKey
XSYRYMGYPBGOPS-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO2
- Average molar mass
- 215.67 g/mol
- Monoisotopic mass
- 215.0713064
Overview
See also: 4-Amino-3-phenylbutyric acid hydrochloride (preferred).
Names & identifiers
- Preferred name
- 4-Amino-3-phenylbutanoic acid hydrochloride, (+/-)-
- IUPAC
- (3-carboxy-2-phenylpropyl)azanium chloride
- English name
- 4-Amino-3-phenylbutanoic acid hydrochloride
- Molecular formula
- C10H14ClNO2
- Molecular weight
- 215.68
Names & synonyms
4-Amino-3-phenylbutanoic acid hydrochloride, (+/-)-UNII-625240H2LNAKOS0050678214-amino-3-phenylbutanoic acid, chlorideST509859424-AMINO-3-PHENYLBUTANOIC ACID HYDROCHLORIDE4-AMINO-3-PHENYLBUTIRIC ACIDFENIBUTPhenibut HydrochlorideBenzenepropanoic acid, β-(aminomethyl)-, hydrochloride (1:1)FinibertTIMTEC-BB SBB001567
Show more names
β-Phenyl-GABA hydrochloride4-AMINO-3-PHENYL-BUTYRIC ACID4-Amino-3-phenylbutiric acid HCl
Database identifiers
- CAS
3060-41-1- PubChem CID
- 18288
Properties
Computed structural properties
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 194 · 194-201°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C10H13NO2.ClH/c11-7-9(6-10(12)13)8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H
- InChIKey
- XSYRYMGYPBGOPS-UHFFFAOYSA-N
- SMILES
- C(C1C=CC=CC=1)(CN)CC(=O)O.Cl
- CAS DataBase Reference
- 3060 · 3060-41-1(CAS DataBase Reference)
- FDA UNII
- 625240 H2LN · 625240H2LN
- ATC code
- 6 BX22 · N06BX22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesPhenibut is a derivative of γ-Aminobutyric Acid (A602920); an important inhibitory neurotransmitter. Phenibut possesses neuroprotective activity.
General Description4-Amino-3-phenyl-butyric acid hydrochloride is a derivative of γ-Aminobutyric Acid which possesses neuroprotective activity. It is an organic compound characterized by the presence of both a carboxylic acid and an amine group. It′s an amino acid and holds substantial importance in the fields of biochemistry and physiology. Its versatile nature allows for a broad spectrum of applications in scientific research, particularly in studies involving enzyme inhibition and receptor activation.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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