CAS 78183-55-8 methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride (HCID 2760578)

기본 정보

CAS: 78183-55-8
표준 SMILES: COC(=O)[C@@H]1Cc2ccccc2CN1.Cl
InChIKey: BUXCBOUGBHWQBE-PPHPATTJSA-N
분자식: C11H14ClNO2
평균 분자량: 227.69 g/mol
단동위원소 질량: 227.07130637

이름 및 식별자

우선 이름: methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
IUPAC: methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride
영어명: (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride
분자식: C11H14ClNO2
분자량: 227.69

이름 및 동의어

78183-55-8Methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate HydrochlorideRefChem:812301865-328-6(s)-methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochlorideMFCD05861484Methyl (S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylate Hydrochloridemethyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloridemethyl 1,2,3,4-tetrahydro-isoquinoline-3(s)-carboxylate hydrochlorideL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HCL(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride(S)-Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate HCl

이름 더 보기

L-Tic-OMe.HCl(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester, HClL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-, METHYL ESTER, HYDROCHLORIDE

(s)-l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride(s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid methyl ester hydrochloridemethyl (s)-1,2,3,4-tetrahydro-3-isoquinoline carboxylate hydrochlorideSCHEMBL10749367SCHEMBL30665771BUXCBOUGBHWQBE-PPHPATTJSA-NDTXSID801380368DDA18355

물성

구조 계산 물성

극성 표면적: 38.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 261 · 261-263 °C (decomp)(Solv: chloroform (67-66-3); ethyl ether (60-29-7))
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.