H-TIC-오

1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid

HCID 95489CAS 35186-99-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)C1Cc2ccccc2CN1
InChIKey: BWKMGYQJPOAASG-UHFFFAOYSA-N
분자식: C10H11NO2
평균 분자량: 177.2 g/mol
단동위원소 질량: 177.07897859

개요

used as a substitute for amino acids in synthetic peptides

이름 및 식별자

우선 이름: 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
IUPAC: 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
현지명: H-TIC-오
영어명: H-Tic-OH
분자식: C10H11NO2
분자량: 177.2

이름 및 동의어

1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid67123-97-13-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acidC0KDL86B2LTetrahydro-3-isoquinoline carboxylic acidDTXSID80868286RefChem:71319DTXCID50816411266-580-435186-99-3H-DL-TIC-OH

이름 더 보기

H-TIC-오L-TIC(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID(S)-(-)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACIDH-Tic-OHH-L-TIC-OHRARECHEM BK PT 00821,2,3,4-L-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID1,2,3,4-TETRAHYDROISOQUINOLINE-3(S)-CARBOXYLIC ACIDL-1,2,3,4-TETRATHYDROISOQUINOLINE-3-CARBOXYLIC ACID

rac 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acidMFCD00191496EINECS 266-580-4CHEMBL11912STK048492AKOS001025539(R)-(+)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid

데이터베이스 식별자

CAS: 35186-99-3、67123-97-1
PubChem CID: 95489
DTXSID: DTXSID80868286
ChEMBL: CHEMBL11912
UNII: C0KDL86B2L
EC Number: 266-580-4
Nikkaji: J269.380A

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 205

물리화학적 성질

녹는점: 300 °C · >300 °C(lit.)
저장 조건: 2 · 2-8°C
용해도: 온수, 알칼리성 용액
물리적 상태: 고체
색상: 회백색

안전 및 규제

GHS 분류

GHS Classification · 4건

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