기본 정보
- 표준 SMILES
COC(=O)[C@H]1Cc2ccccc2CN1.Cl- InChIKey
BUXCBOUGBHWQBE-HNCPQSOCSA-N- 분자식
- C11H14ClNO2
- 평균 분자량
- 227.69 g/mol
- 단동위원소 질량
- 227.0713064
이름 및 식별자
- 우선 이름
- (R)-methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride
- IUPAC
- methyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochloride
이름 및 동의어
146074-43-3(R)-methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride(R)-METHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLATE HCLMFCD07778614Methyl 1,2,3,4-tetrahydro-isoquinoline-3(R)-carboxylate hydrochloridemethyl (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydrochlorideMethyl (R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, methyl ester, hydrochloride, (3R)- (9CI)(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochlorideBUXCBOUGBHWQBE-HNCPQSOCSA-Nmethyl (s)-1,2,3,4-tetrahydro-3-isoquinoline carboxylate hydrochlorideSCHEMBL14059291
이름 더 보기
(s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid methyl ester hydrochlorideAKOS024259255METHYL (3R)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLATE HYDROCHLORIDEAS-30215SY026680CS-0433296EN300-7417624F386237
데이터베이스 식별자
- PubChem CID
- 71060992
물성
구조 계산 물성
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 217
관련 반응
2건
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