트립타민

Tryptamine

HCID 1150CAS 61-54-1

기본 정보

표준 SMILES
NCCc1c[nH]c2ccccc12
InChIKey
APJYDQYYACXCRM-UHFFFAOYSA-N
분자식
C10H12N2
평균 분자량
160.22 g/mol
단동위원소 질량
160.10004838

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:900684DTXCID3042922200-510-5Indol-3-ethylamineTryptamin2-(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 물성

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

실험 및 물리화학적 성질

Drugs · 2건

DEA NFLIS-Drug Category -> Tryptamines

Pharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesAngular frequency
LogP1.55
Melting Point114 - 119 °C
Physical DescriptionSolid
Collision Cross Section · 5건

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

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

137.97 Ų [M+K]+ [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)
인화점
185 °C · 185 °C
저장 조건
2 · 2-8°C
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.

안전 및 규제

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

Status: Active Update: 29-09-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/12803

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

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.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
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.

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