기본 정보
- 표준 SMILES
Cc1ccc2[nH]cc(CCN)c2c1.Cl- InChIKey
RBHDFGBPJGEYCK-UHFFFAOYSA-N- 분자식
- C11H15ClN2
- 평균 분자량
- 210.7 g/mol
- 단동위원소 질량
- 210.0923762
이름 및 식별자
- 우선 이름
- 5-Methyltryptamine hydrochloride
- IUPAC
- 2-(5-methyl-1H-indol-3-yl)ethanamine;hydrochloride
- 영어명
- 5-Methyltryptamine hydrochloride
- 분자식
- C11H15ClN2
- 분자량
- 210.7
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1010-95-3- PubChem CID
- 6917145
- DTXSID
DTXSID40143627- ChEBI
CHEBI:229634- EC Number
- 213-777-8
물성
구조 계산 물성
- 극성 표면적
- 41.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 169
물리화학적 성질
- 녹는점
- 290 · 290-292 °C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 옅은 베이지부터 밝은 황갈색까지
- 수용성
- 2 O: · H2O: soluble 50mg/mL, clear, yellow
- InChI
- 1S/C11H14N2.ClH/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H
- InChIKey
- RBHDFGBPJGEYCK-UHFFFAOYSA-N
- SMILES
- Cl.Cc1ccc2[nH]cc(CCN)c2c1
화학적 성질
Light Tan Solid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
안전 데이터
- wgk
- 3
- ridadr
- 2811
- risk_code
- 26/27/28
- hazard_code
- T+
- safety_code
- 22-24/25
- 포장분류
- Ⅲ
- 위험 등급
- 6.1
- F 고인화성물질
- 10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도5-Methyltryptamine hydrochloride is a methylated derivative of tryptamine, it is a weak antagonist of 5-Hydroxytryptamine (H974990) with weak potency as stimulants of the cardiac sympathetic nerves. 5-Methyltryptamine hydrochloride is also used in the preparation of inhibitors of kinesin spindle protein (KSP), a promising class of anticancer agents.
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