Tert-butyl 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

HCID 10562576

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 188576-49-0
표준 SMILES: CC(C)(C)OC(=O)N1CCc2ccc(O)cc2C1
InChIKey: SVWCQVGJRNYYBX-UHFFFAOYSA-N
분자식: C14H19NO3
평균 분자량: 249.3 g/mol
단동위원소 질량: 249.13649347

이름 및 식별자

우선 이름: Tert-butyl 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
IUPAC: tert-butyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
영어명: tert-Butyl 7-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
분자식: C14H19NO3
분자량: 249.31

이름 및 동의어

tert-butyl 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylateRefChem:894510817-083-1188576-49-0TERT-BUTYL 7-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATETert-butyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylateMFCD082750362(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-7-hydroxy-, 1,1-dimethylethyl ester7-Hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl estertert-Butyl7-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid tert-butyl esterSCHEMBL545619

이름 더 보기

N-Boc-7-hydroxy-1,2,3,4-tetrahydroisoquinoline2-Boc-7-hydroxy-1,2,3,4-tetrahydroisoquinolinetert-butyl 7-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylat

SCHEMBL6560995SCHEMBL29372093DTXSID70441805SVWCQVGJRNYYBX-UHFFFAOYSA-NNHA57649AKOS010581774AB445922-Boc-7-hydroxy-3,4-dihydroisoquinoline

데이터베이스 식별자

CAS: 188576-49-0
PubChem CID: 10562576
DTXSID: DTXSID70441805
EC Number: 817-083-1

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 311

물리화학적 성질

녹는점: 140 · 140-142.5 °C
끓는 점: 391.4 · 391.4±42.0 °C(Predicted)
밀도: 1.17 · 1.170±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.22 · 10.22±0.20(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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.