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기본 정보
- CAS
151838-62-9- 표준 SMILES
CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)O- InChIKey
HFPVZPNLMJDJFB-UHFFFAOYSA-N- 분자식
- C15H19NO4
- 평균 분자량
- 277.31 g/mol
- 단동위원소 질량
- 277.13140809
이름 및 식별자
- 우선 이름
- 2-[(Tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
- 현지명
- N-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-카르복실산
- 영어명
- N-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- 분자식
- C15H19NO4
- 분자량
- 277.32
이름 및 동의어
2-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid2-((tert-butoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidRefChem:450036102-673-7151838-62-92-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidBoc-DL-Tic-OHMFCD020607012-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acidN-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(1,1-dimethylethyl) esterN-BOC-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
이름 더 보기
N-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-카르복실산2-N-BOC-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, N-BOC protected2-(tert-butoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid(RS)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, N-BOC protected2-(1,1-dimethylethyl) ester -3,4-dihydro-2,3(1H)-Isoquinolinedicarboxylic aci2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-diMethylethyl) ester
11592-35-1(R,S)-2-tert-Butoxycarbonyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acidBoc-(S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidBoc-(R)-1,2,3,4-tetrahydroisoquino-line-3-carboxylic acidBoc-L-Tic2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acidF2147-1647N-Boc-L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
데이터베이스 식별자
- CAS
151838-62-9- PubChem CID
- 2735649
- DTXSID
DTXSID00370856- EC Number
- 102-673-7
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 388
물리화학적 성질
- 녹는점
- 125 · 125-126
- 끓는 점
- 437.6 · 437.6±45.0 °C(Predicted)
- 밀도
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.88 · 3.88±0.20(Predicted)
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2933499090
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
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