CAS 74163-81-8 (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid (HCID 2733226)

이름 및 식별자

우선 이름: (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
IUPAC: (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
영어명: L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
분자식: C10H11NO2
분자량: 177.2

이름 및 동의어

74163-81-8(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acidL-Porretine(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid737G46U1NP1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (S)-RefChem:410574L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acidH-TIC-OH(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acidQuinapril EP Impurity A

이름 더 보기

Tic-OH(S)-TICL-TIC HCLL-1,2,3,4-TetrahydroIcatibant Impurity 14Quinapril Bicyclic Acid(S)-1,2,3,4-Tetrahydro-3-isoquinoLQuinapril Hydrochloride Impurity A(3S)-1,2,3,4-Tetrahydroisoquinoline

MFCD00144533(S)-(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic AcidUNII-737G46U1NP3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (3S)-(3s)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acidQ27266148Z7629266981,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID, (-)-

데이터베이스 식별자

CAS: 74163-81-8
PubChem CID: 2733226
DTXSID: DTXSID601351731
ChEMBL: CHEMBL447576
UNII: 737G46U1NP
EC Number: 616-058-0
Nikkaji: J239.652A

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.)
끓는 점: 309.12 °C · 309.12°C (rough estimate)
밀도: 1.1607 · 1.1607 (rough estimate)
굴절률: -166 ° · -166 ° (C=1, 1mol/L NaOH)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: soluble in Hot Water, Basic Water
산도 계수 (pKa): 2.21 · 2.21±0.20(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 4842199 · 4842199
주요 응용: 펩타이드 합성
InChI: 1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
InChIKey: BWKMGYQJPOAASG-VIFPVBQESA-N
SMILES: OC(=O)[C@@H]1Cc2ccccc2CN1

화학적 성질

white to light yellow crystal powde

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 (95.3%): 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 43 reports by companies from 5 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.