기본 정보
- CAS
3060-41-1- 표준 SMILES
Cl.NCC(CC(=O)O)c1ccccc1- InChIKey
XSYRYMGYPBGOPS-UHFFFAOYSA-N- 분자식
- C10H14ClNO2
- 평균 분자량
- 215.67 g/mol
- 단동위원소 질량
- 215.07130637
이름 및 식별자
- 우선 이름
- 4-Amino-3-phenylbutyric acid hydrochloride
- IUPAC
- 4-amino-3-phenylbutanoic acid;hydrochloride
- 현지명
- 3-아미노-4-페닐부티르산히드로클로라이드
- 영어명
- 4-Amino-3-phenylbutanoic acid hydrochloride
- 분자식
- C10H14ClNO2
- 분자량
- 215.68
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
3060-41-1- PubChem CID
- 11499499
- DTXSID
DTXSID001350159- UNII
- 625240H2LN
- EC Number
- 640-227-8
물성
구조 계산 물성
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 164
물리화학적 성질
- 녹는점
- 194 · 194-201°C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 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
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (96.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- HS 번호
- 2916399090
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs used to prevent SEIZURES or reduce their severity.
Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.
Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
A traditional grouping of drugs said to have a soothing or calming effect on mood, thought, or behavior. Included here are the ANTI-ANXIETY AGENTS (minor tranquilizers), ANTIMANIC AGENTS, and the ANTIPSYCHOTIC AGENTS (major tranquilizers). These drugs act by different mechanisms and are used for different therapeutic purposes.
Endogenous compounds and drugs that bind to and activate GAMMA-AMINOBUTYRIC ACID receptors (RECEPTORS, GABA).
응용 분야
용도Phenibut is a derivative of γ-Aminobutyric Acid (A602920); an important inhibitory neurotransmitter. Phenibut possesses neuroprotective activity.
일반 설명4-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.
상·하류 제품 정보
상류 원료
공급사100 곳
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