2-아미노-1-페닐에타놀

Phenylethanolamine

HCID 1000CAS 7568-93-6
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기본 정보

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-phenylethanolphenylethanolamineBisnorephedrine2-amino-1-phenylethan-1-ol2-Hydroxy-2-phenylethylaminePhenethanolamine2-Phenyl-2-hydroxyethylaminebeta-Hydroxyphenethylamine2-Hydroxyphenethylaminebeta-Phenethanolaminealpha-(Aminomethyl)benzyl alcoholapophedrin
이름 더 보기
2-아미노-1-페닐에타놀231-469-1NorphedrinS/R-PHENYLGLYCINOL(-)-N-Boc-D-αβ-PhenethanolamineRARECHEM AL BW 0092
2-Amino-1-phenyl-1-ethanolEthanol, 2-amino-1-phenyl-.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

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Ethanolamines
DrugsPharmaceutical
Solubility45.8 mg/mL
Melting Point56.5 °C
Vapor Pressure0.00132 [mmHg]
Physical Description · 2건

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)

화학적 성질

white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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

화학 및 산업

약리 정보

Tissue LocationsTestis

용도 및 제조

Uses · 1건

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

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

추가 설명

정의ChEBI: 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.

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