5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

HCID 11344959

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 127626-06-6
표준 SMILES: Fc1ccc2[nH]cc(C3=CCNCC3)c2c1
InChIKey: NOBJPJHWOFGLFA-UHFFFAOYSA-N
분자식: C13H13FN2
평균 분자량: 216.25 g/mol
단동위원소 질량: 216.10627659

이름 및 식별자

우선 이름: 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
IUPAC: 5-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
영어명: 5-FLUORO-3-(1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
분자식: C13H13FN2
분자량: 216.25

이름 및 동의어

127626-06-65-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indoleDTXSID60463016RefChem:535864DTXCID20413835886-273-45-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indoleMFCD09833282CHEMBL269065-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)indoleNOBJPJHWOFGLFA-UHFFFAOYSA-N5-fluoro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-Indole

이름 더 보기

5-Fluoro-3-(1,2,3,6-tetrahydro-4-pyridyl)indole, 97%1H-Indole, 5-fluoro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-

SCHEMBL2778860BDBM50015712EBC-04186AKOS013165293DB-062598CS-0214991EN300-211881F435212

데이터베이스 식별자

CAS: 127626-06-6
PubChem CID: 11344959
DTXSID: DTXSID60463016
ChEMBL: CHEMBL26906
EC Number: 886-273-4
Nikkaji: J336.561A

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 27.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 290

물리화학적 성질

끓는 점: 403.6 · 403.6±45.0 °C(Predicted)
밀도: 1.238 · 1.238±0.06 g/cm3(Predicted)
산도 계수 (pKa): 16.23 · 16.23±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.