2-아미노-1-페닐에타놀
Phenylethanolamine
기본 정보
- CAS
7568-93-6- 표준 SMILES
NCC(O)c1ccccc1- InChIKey
ULSIYEODSMZIPX-UHFFFAOYSA-N- 분자식
- C8H11NO
- 평균 분자량
- 137.18 g/mol
- 단동위원소 질량
- 137.08406397
개요
Phenylethanolamine is the simplest member of the class of phenylethanolamines that is 2-aminoethanol bearing a phenyl substituent at the 1-position. The parent of the phenylethanolamine class. It has a role as a human metabolite. It is a conjugate base of a phenylethanolaminium.
이름 및 식별자
- 우선 이름
- Phenylethanolamine
- IUPAC
- 2-amino-1-phenylethanol
- 현지명
- 2-아미노-1-페닐에타놀
- 영어명
- 2-Amino-1-phenylethanol
- 분자식
- C8H11NO
- 분자량
- 137.18
이름 및 동의어
2-Amino-1-phenylethanolphenylethanolamineBisnorephedrinePhenethanolamine2-Hydroxy-2-phenylethylamine2-amino-1-phenylethan-1-olbeta-Hydroxyphenethylamine2-Phenyl-2-hydroxyethylaminebeta-Phenethanolaminealpha-(Aminomethyl)benzyl alcoholapophedrin2-Amino-1-phenyl-1-ethanol
이름 더 보기
2-아미노-1-페닐에타놀231-469-1NorphedrinS/R-PHENYLGLYCINOL(-)-N-Boc-D-αβ-PhenethanolamineRARECHEM AL BW 0092
Ethanol, 2-amino-1-phenyl-beta-Phenylethanolamine.beta.-Phenethanolaminebeta-Hydroxy-beta-phenylethylamine1-phenyl-2-aminoethanol(+-)-alpha-Phenylglycinolalpha-(aminomethyl)benzenemethanol.beta.-Hydroxyphenethylamine
데이터베이스 식별자
- CAS
7568-93-6- PubChem CID
- 1000
- DTXSID
DTXSID10864094- ChEMBL
CHEMBL19216、CHEMBL224526- ChEBI
CHEBI:16343- UNII
- 2P4Y56479O
- EC Number
- 231-469-1
- Nikkaji
- J41.855B
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 46.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 89.3
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Ethanolamines
DrugsPharmaceutical
Solubility45.8 mg/mL
Melting Point56.5 °C
Vapor Pressure0.00132 [mmHg]
Physical Description
Pale yellow solid; [Merck Index] Light yellow solidified mass or fragments; [Sigma-Aldrich MSDS]
Solid
물리화학적 성질
- 녹는점
- 56 · 56-58 °C (lit.)
- 끓는 점
- 160 °C/17 · 160 °C/17 mmHg (lit.)
- 밀도
- 1.063 · 1.0630 (rough estimate)
- 굴절률
- 1.558 · 1.558-1.56
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 12.04 · 12.04±0.35(Predicted)
- 물리적 상태
- 점성 액체
- 색상
- 맑은 노란색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: Benzenemethanol, .alpha.-(aminomethyl)-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryIntraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See N-Phenylethanolamine.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DN5500000
- ridadr
- 3259
- HS 번호
- 29221990
- risk_code
- 36/37/38
- hazard_code
- Xi,C
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 8
- 위험 참고 사항
- Corrosive
화학 및 산업
약리 정보
Tissue LocationsTestis
용도 및 제조
Uses
Simple amine found in the brain. It may be modulator of sympathetic functions. Its derivatives are adrenergic agonists and antagonists. It is also used in chemical industry. [ChemIDplus] Used as a stopping agent in polymerization of styrene-butadiene rubber, for hardening waxes, and to make pressor amines; The sulfate is used as a topical vasoconstrictor; [Merck Index]
General Manufacturing InformationBenzenemethanol, .alpha.-(aminomethyl)-: ACTIVE
응용 분야
용도2-Amino-1-phenylethanol is an intermediate in the manufacturing of pressor amines. The sulfate salt is used as topical vasoconstrictor.
상·하류 제품 정보
상류 원료
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