2-메틸린돌-3-에틸아민

2-Methyl-1H-indole-3-ethylamine

HCID 75949CAS 2731-06-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1[nH]c2ccccc2c1CCN
InChIKey: CPVSLHQIPGTMLH-UHFFFAOYSA-N
분자식: C11H14N2
평균 분자량: 174.24 g/mol
단동위원소 질량: 174.11569845

이름 및 식별자

우선 이름: 2-Methyl-1H-indole-3-ethylamine
IUPAC: 2-(2-methyl-1H-indol-3-yl)ethanamine
현지명: 2-메틸린돌-3-에틸아민
영어명: 2-Methylindole-3-ethylamine
분자식: C11H14N2
분자량: 174.24

이름 및 동의어

2-Methyltryptamine2731-06-82-Methyl-1H-indole-3-ethylamineDTXSID30181755EINECS 220-347-3RefChem:474959DTXCID70104246220-347-32-(2-methyl-1H-indol-3-yl)ethanamine2-methylindole-3-ethylamine2-(2-Methyl-1H-indol-3-yl)-ethylamine2-(2-methyl-1H-indol-3-yl)ethan-1-amine

이름 더 보기

2-메틸린돌-3-에틸아민AKOS B0069492-MethyltryptaminRARECHEM AN KA 1106ART-CHEM-BB B0069492-Methyltryptamine>2-Methylindole-3-ethylamine2-Methyltryptamine, ≥ 98.0%

1H-Indole-3-ethanamine, 2-methyl-3-(2-Aminoethyl)-2-methylindoleMFCD001301852-METHYL-1H-INDOLE-3-ETHANAMINE2-(2-methyl-1h-indol-3-yl)ethylamine2-(2-methylindol-3-yl)ethylamineF662-methyl tryptamine

데이터베이스 식별자

CAS: 2731-06-8
PubChem CID: 75949
DTXSID: DTXSID30181755
ChEMBL: CHEMBL2358910
EC Number: 220-347-3
Nikkaji: J46.767G

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 41.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 106 to · 106.0 to 110.0 °C
끓는 점: 177 °C/1.5mmHg · 177°C/1.5mmHg(lit.)
밀도: 1.126 · 1.126±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): 17.78 · 17.78±0.30(Predicted)
물리적 상태: powder to crystal
색상: White to Light yellow to Dark green
InChI: InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3
InChIKey: CPVSLHQIPGTMLH-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C(CCN)=C1C

화학적 성질

Brown 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.