1-페닐-1,2,3,4-테트라히드로-이소퀴놀린

1,2,3,4-Tetrahydro-1-phenylisoquinoline

HCID 100137CAS 22990-19-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc(C2NCCc3ccccc32)cc1
InChIKey: PRTRSEDVLBBFJZ-UHFFFAOYSA-N
분자식: C15H15N
평균 분자량: 209.29 g/mol

개요

structure in first source

이름 및 식별자

우선 이름: 1,2,3,4-Tetrahydro-1-phenylisoquinoline
IUPAC: 1-phenyl-1,2,3,4-tetrahydroisoquinoline
현지명: 1-페닐-1,2,3,4-테트라히드로-이소퀴놀린
영어명: 1-Phenyl-1,2,3,4-tetrahydro-isoquinoline
분자식: C15H15N
분자량: 209.29

이름 및 동의어

22990-19-81,2,3,4-Tetrahydro-1-phenylisoquinolinePhenyl-TIQRefChem:4354761-Phenyl-1,2,3,4-tetrahydroisoquinoline1-Phenyl-1,2,3,4-tetrahydro-isoquinolineIsoquinoline, 1,2,3,4-tetrahydro-1-phenyl-MFCD02179241Solifenacin Impurity CNSC338399CHEMBL21465SCHEMBL327233

이름 더 보기

1-페닐-1,2,3,4-테트라히드로-이소퀴놀린Solifenacin Impurity 17rac Solifenacin EP Impurity A1-Phenyl-1,2,3,4-TetrahydroisoSolifenacin Related Compound 30Solifenacin Succinate interMediate E1-Phenyl-1,2,3,4-tetrhydroisoquinoline1-phenyl-1,2,3,4-tetrahydroisochinoline

rac 1-Phenyl-1,2,3,4-tetrahydroisoquinolineCS-B0307NSC-338399SB35629PD119414SY030993racemic 1-phenyl-1,2,3,4-tetrahydro-isoquinoline1-phenyl-1,2,3,4-tetrahydro-isoquinoline, AldrichCPR

데이터베이스 식별자

CAS: 22990-19-8
PubChem CID: 100137
ChEMBL: CHEMBL21465
EC Number: 675-478-2
Nikkaji: J641.380C

물성

구조 계산 물성

XLogP: 3
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 98 to · 98.0 to 102.0 °C
끓는 점: 338.4 · 338.4±11.0 °C(Predicted)
밀도: 1.065 · 1.065±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8.91 · 8.91±0.40(Predicted)
색상: 회백색
InChI: InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2
InChIKey: PRTRSEDVLBBFJZ-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)C2=C(C=CC=C2)CCN1

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.