Tryptophol

HCID 10685CAS 526-55-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
OCCc1c[nH]c2ccccc12
InChIKey
MBBOMCVGYCRMEA-UHFFFAOYSA-N
분자식
C10H11NO
평균 분자량
161.2 g/mol
단동위원소 질량
161.08406397

개요

Tryptophol is an indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2. It has a role as an auxin, a Saccharomyces cerevisiae metabolite and a plant metabolite.

이름 및 식별자

우선 이름
Tryptophol
IUPAC
2-(1H-indol-3-yl)ethanol
영어명
Tryptophol
분자식
C10H11NO
분자량
161.2

이름 및 동의어

Tryptophol526-55-6Indole-3-ethanol3-(2-Hydroxyethyl)indole1H-Indole-3-ethanol2-(1H-Indol-3-yl)ethanol3-IndolylethanolIndoleethanolIndole ethanolDTXSID20601735809LZ7G1UNSC-3884
이름 더 보기
2-(1H-INDOL-3-YL)ETHAN-1-OLIEAB-3-INDOLYLETHANOLBETA-3-INDOLYLETHANOLDK803NSC 3884
CHEBI:17890RefChem:900693DTXCID1041219208-393-23-Indoleethanol2-(3-Indolyl)ethanolEthanol, 2-indol-3-yl-1H-Indolyl-3-ethanol

데이터베이스 식별자

CAS
526-55-6
PubChem CID
10685
DTXSID
DTXSID2060173
ChEMBL
CHEMBL226545
ChEBI
CHEBI:17890
UNII
5809LZ7G1U
EC Number
208-393-2
Nikkaji
J6.661C

물성

구조 계산 물성

XLogP
1.8
극성 표면적
36 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Amino Acids and Derivatives
Melting Point59 °C
Physical Description · 2건

Solid; [Merck Index] Brown or yellow solid; [Alfa Aesar MSDS]

Solid

Collision Cross Section · 2건

133.6 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

133.8 Ų [M+H]+

물리화학적 성질

녹는점
56 · 56-59 °C(lit.)
끓는 점
174 °C · 174 °C (2.02527 mmHg)
밀도
1.084 · 1.0840 (rough estimate)
굴절률
1.52 · 1.5200 (estimate)
인화점
255 °C · 255 °C
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
화학적 성질 · 1건

3-(2-Hydroxyethyl)indole [526-55-6], tryptophol, C10H11NO, Mr 161.20, mp 59 ℃, bp 174 ℃, (2 kPa) forms colorless prisms or flakes that are readily soluble in methanol, ethanol, diethyl ether, chloroform, and acetone, soluble in benzene, and slightly soluble in water. It is produced by reacting methyl-1H-indole-3-acetate with lithium aluminum hydride, or through reduction of methyl-1H-indole-3-glyoxylate with sodium borohydride. The antihypertensive Indoramin is produced from tryptophol.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryCauses somnolence in intraperitoneal lethal-dose studies of mice (LD50 = 351 mg/kg); [RTECS] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
KL3685000
독성
LD50 intraperitoneal in mouse: 351mg/kg
HS 번호
29339990
hazard_code
Xi

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Indole-3-ethanol: ACTIVE

응용 분야

용도Tryptophol is a metabolite formed in the liver after disulfiram treatment that induces sleep in humans. It is also a secondary product of alcoholic fermentation.

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]
T&W GROUP021-61551611 13296011611 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

추가 설명

정의ChEBI: An indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2.

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