1,2,3,4-Tetrahydroisoquinolin-6-ol

HCID 26698CAS 14446-24-3

기본 정보

표준 SMILES: Oc1ccc2c(c1)CCNC2
InChIKey: SCMZIFSYPJICCV-UHFFFAOYSA-N
분자식: C9H11NO
평균 분자량: 149.19 g/mol
단동위원소 질량: 149.08406397

이름 및 식별자

우선 이름: 1,2,3,4-Tetrahydroisoquinolin-6-ol
IUPAC: 1,2,3,4-tetrahydroisoquinolin-6-ol
영어명: 1,2,3,4-Tetrahydro-isoquinolin-6-ol
분자식: C9H11NO
분자량: 149.19

이름 및 동의어

1,2,3,4-tetrahydroisoquinolin-6-ol6-Hydroxy-1,2,3,4-tetrahydroisoquinolineRefChem:410563814-570-014446-24-31,2,3,4-Tetrahydro-isoquinolin-6-ol1,2,3,4-Tetrahydro-6-isoquinolinol6-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-MFCD01717047BRN 0127578CHEMBL3107366-Hydroxy-1,2,3,4-tetrahydro-isoquinoline

이름 더 보기

H90100RMA-1934-tetrahydro-isoquinolin-6-ol1,2,3,4-tetrahydro-6-isoquinolino1,2,3,4-Tetrahydroisoquinolin-6-ol Name6-hydroxy-1,2,3,4-Tetrahydroisoquinoline HCl

DTXSID80162711AKOS006333936SY003117EN300-96853Z30184381116-Hydroxytetrahydroisochinolin6WR7DU65P7SCHEMBL1017452

데이터베이스 식별자

CAS: 14446-24-3
PubChem CID: 26698
DTXSID: DTXSID80162711
ChEMBL: CHEMBL310736
UNII: 6WR7DU65P7
EC Number: 814-570-0
Nikkaji: J678.942K

물성

구조 계산 물성

XLogP: 1
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 192 · 192-193℃
끓는 점: 313.5 · 313.5±42.0 °C(Predicted)
밀도: 1.141 · 1.141±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 고체
산도 계수 (pKa): 9.3 · 9.30±0.20(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C9H11NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-2,5,10-11H,3-4,6H2
InChIKey: SCMZIFSYPJICCV-UHFFFAOYSA-N
SMILES: C1C2=C(C=C(O)C=C2)CCN1

화학적 성질

Pale yellow liquid

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933499090

화학 및 산업

응용 분야

용도1,2,3,4-Tetrahydroisoquinolin-6-ol is a chemical reagent used in the organic synthesis. Used in the preparation of androgen receptor modulators (SARMs) as well as steroidmimetic and chimeric microtubule disruptors.