기본 정보
- CAS
79261-58-8- 표준 SMILES
O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1- InChIKey
YWVQGUBCAUFBCP-INIZCTEOSA-N- 분자식
- C18H17NO4
- 평균 분자량
- 311.3 g/mol
이름 및 식별자
- 우선 이름
- (3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid
- IUPAC
- (3S)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
- 영어명
- (3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- 분자식
- C18H17NO4
- 분자량
- 311.33
이름 및 동의어
(3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic AcidRefChem:401223621-821-679261-58-8Z-Tic-OHMFCD00672545(S)-2-((BENZYLOXY)CARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID(S)-(+)-2-(Benzyloxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid(3S)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid(S)-N-Cbz-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid(3S)-2-[(benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3S)-2-phe
이름 더 보기
Cbz-L-Tic-OHZ-L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACIDZ-[3S]-1,2,3,4-TETRAHYDROISOQUINOLENE-3-CARBOXYLIC ACID2N-Boc-1,2,3,4-tetrahydroisoquinolene-3S-carboxylic acidZ-D-[3S]-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID(3S)-2-CBZ-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID(S)-(+)-N-Cbz-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(S)-(+)-N-CBZ-1,2,3,4-TERTRAHYDRO ISOQUINOLINE-3-CARBOXYLIC ACID(3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicaci
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 433
물리화학적 성질
- 녹는점
- 137 · 137-141 °C
- 끓는 점
- 451.38 °C · 451.38°C (rough estimate)
- 밀도
- 1.2626 · 1.2626 (rough estimate)
- 굴절률
- 23.5 ° · 23.5 ° (C=2, MeOH)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.86 · 3.86±0.20(Predicted)
- 색상
- 흰색에서 연한 노란색
화학적 성질
white crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 29334900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-36-36/37/39
화학 및 산업
응용 분야
용도(3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid is a reagent in the preparation of antibacterial studies of peptide deformylase inhibitor BB-3497 and its P2’ and P3’ analogs.
상·하류 제품 정보
상류 원료
하류 제품
공급사92 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
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