홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

트립타민

Tryptamine

HCID 1150
새 노트새 반응견적 요청하기
인쇄 미리보기

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
61-54-1
표준 SMILES
NCCc1c[nH]c2ccccc12
InChIKey
APJYDQYYACXCRM-UHFFFAOYSA-N
분자식
C10H12N2
평균 분자량
160.22 g/mol
단동위원소 질량
160.10004839

개요

Tryptamine is an aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position. It has a role as a mouse metabolite, a plant metabolite and a human metabolite. It is a member of tryptamines, an aminoalkylindole, an indole alkaloid and an aralkylamino compound. It is a conjugate base of a tryptaminium.

이름 및 식별자

우선 이름
Tryptamine
IUPAC
2-(1H-indol-3-yl)ethanamine
현지명
트립타민
영어명
Tryptamine
분자식
C10H12N2
분자량
160.22

이름 및 동의어

tryptamine61-54-12-(1H-Indol-3-yl)ethanamine3-(2-aminoethyl)indole1H-Indole-3-ethanamine2-(3-Indolyl)ethylamine2-(1H-Indol-3-Yl)Ethan-1-AmineIndole, 3-(2-aminoethyl)-beta-(3-Indolyl)ethylamine422ZU9N5TVCHEBI:16765DTXSID2075340
이름 더 보기
3-(2-아미노에틸)인돌트립타민L-TRYPTAMINETRIPTAMINETRYPTAMINE CAS 61-54-12-(1H-indol-3-yl)ethan-1-aMine hydrochlorideb mk-2ryptamine
NSC-1652123-[2-Aminoethyl]indoleRefChem:900684DTXCID3042922200-510-5TryptaminIndol-3-ethylamine2-(Indol-3-yl)ethylamine

데이터베이스 식별자

CAS
61-54-1
PubChem CID
1150
DTXSID
DTXSID2075340
ChEMBL
CHEMBL6640
ChEBI
CHEBI:16765
UNII
422ZU9N5TV
EC Number
200-510-5
Nikkaji
J4.816J

물성

구조 계산 물성보충 중

XLogP
1.6
극성 표면적
41.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
12
형식 전하
0
복잡도
147

실험 및 물리화학적 성질

Drugs · 2건

DEA NFLIS-Drug Category -> Tryptamines

Pharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesAngular frequency
LogP · 2건

1.55

1.35

Melting Point114 - 119 °C
Physical DescriptionSolid
Collision Cross Section · 5건

128.42 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]

125.1 Ų [M+H-H2O]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

131.25 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

124.4 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

127.6 Ų [M+H]+

물리화학적 성질

녹는점
113 · 113-116 °C (lit.)
끓는 점
137 °C/0.15 · 137 °C/0.15 mmHg (lit.)
밀도
0.9787 · 0.9787 (rough estimate)
굴절률
1.621 · 1.6210 (estimate)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.

Warning

H315 (96.2%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

REACH registered substance: 2-(indol-3-yl)ethylamine (EC: 200-510-5)

1H-Indole-3-ethanamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (96.2%)

안전 데이터

wgk
3
rtecs
NL4020000
HS 번호
29339990
risk_code
20/21/22-36/37/38-41-37/38-22
hazard_code
Xi
safety_code
24/25-36/37/39-36-26
위험 등급
IRRITANT
기존화학 물질
KE-01371
F 고인화성물질
8-23
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Skin Sens. 1A
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsBrain
Cellular LocationsCytoplasm
Metabolite PathwaysTryptophan metabolism
응용 분야 · 3건

개요Tryptamine is an indole alkaloid and intermediate in the biosynthesis of serotonin and the phytohormone melatonin in plants. It increases the levels of the terpenoid indole alkaloids ajmalicine, strictosidine, and catharanthine in cultures of C. roseus. Tryptamine is also a product of tryptophan metabolism in mammals. Tryptamine derivatives have been synthetically produced as hallucinogenic drugs of abuse that act on the serotonergic system.

용도Tryptamine is a monoamine alkaloid found in plants. Tryptamine is commonly used in the preparation of biologically active compounds such as neurotransmitters and psychedelics.

일반 설명Tryptamines which are usually found in plants, fungi, animals, etc. are categorized under the monoamine alkaloids class of compounds.

제조 방법 · 1건

Tryptamine, a monoamine alkaloid containing an indole ring structure is derived by the decarboxylation of amino acid tryptophan.The synthesis of tryptamines is typically conducted following a classic route starting with a Mannich reaction of an indole heterocycle, followed by quaternization of the amine, nucleophilic substitution with highly toxic cyanide and final reduction.

상·하류 제품 정보

상류 원료

1H-Indole-3-propanoic acid, α-amino-2,3-dihydro-2-oxo-, (αS)-5-히드록시-L-트리프토판

관련 반응

319건
반응 기록 만들기
HRID 11859 반응식
HRID 11859반응물로uspto-grants-2006_08
HRID 14717 반응식
HRID 14717반응물로uspto-grants-2010_06
HRID 27236 반응식
HRID 27236반응물로uspto-grants-1980_09
HRID 44137 반응식
HRID 44137반응물로uspto-grants-2013_09
HRID 54849 반응식
HRID 54849반응물로uspto-grants-1997_04
HRID 62586 반응식
HRID 62586생성물로uspto-grants-2016_09
HRID 64386 반응식
HRID 64386반응물로uspto-grants-2016_09
HRID 64391 반응식
HRID 64391반응물로uspto-grants-2016_09
1 / 40 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
인화점
185 °C · 185 °C
저장 조건
2 · 2-8°C
용해도
20 °C에서 · 물: 20°C에서 용해성 1g/L
산도 계수 (pKa)
10.2 · 10.2(at 25℃)
물리적 상태
수정 같은
색상
하얀색
수소이온지수(pH)
11.07 · 11.07 (10g/l, H2O, 24.7℃)
수용성
무시할 만한
Merck
14 · 14,9796
BRN
125513 · 125513
주요 응용
청소용품화장품음식 및 음료개인 위생 관리
InChI
1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKey
APJYDQYYACXCRM-UHFFFAOYSA-N
SMILES
NCCc1c[nH]c2ccccc12
NIST
1 H-Indole-3-ethanamine · 1H-Indole-3-ethanamine(61-54-1)
EPA
Tryptamine (61-54-1)
화학적 성질 · 1건

Tryptamine is a biogenic imine derived from the decarboxylation of tryptophan. It is a white to orange crystalline Powder, melting point 118°C (decomposition at 145-146°C). Soluble in ethanol and acetone, almost insoluble in ether, benzene, chloroform and water.

L-KYNURENINE

하류 제품

Vinpocetine1,2,3,4-테트라히드로-9H-피리도[3,4-B]인돌N,N-디메틸트립타민빈카민N-(p-쿠마로일)세로토닌1-트리플루오로메틸-2,3,4,9-테트라히드로-1H-B-카르볼린N-메틸-N-이소프로필트립타민(MIPT)TETRAHYDROALSTONINE3-에틸린돌2-cyano-N-[2-(1H-indol-3-yl)ethyl]acetamideN-(2-INDOL-3-YLETHYL)(4-메틸페닐)포름아미드N-(2-INDOL-3-YLETHYL)-3-PHENYLPROP-2-ENAMIDE
추가 설명 · 1건

정의ChEBI: Tryptamine is an aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position. It has a role as a human metabolite, a plant metabolite and a mouse metabolite. It is an aminoalkylindole, an indole alkaloid, an aralkylamino compound and a member of tryptamines. It is a conjugate base of a tryptaminium.