1-BOC-1,2,3,4-테트라히드로-퀴놀린-2-카르복실산
1-((Tert-butoxy)carbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
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기본 정보
- CAS
123811-87-0- 표준 SMILES
CC(C)(C)OC(=O)N1c2ccccc2CCC1C(=O)O- InChIKey
NGYOAZMYTIAOTI-UHFFFAOYSA-N- 분자식
- C15H19NO4
- 평균 분자량
- 277.31 g/mol
- 단동위원소 질량
- 277.13140809
이름 및 식별자
- 우선 이름
- 1-((Tert-butoxy)carbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
- IUPAC
- 1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
- 현지명
- 1-BOC-1,2,3,4-테트라히드로-퀴놀린-2-카르복실산
- 영어명
- 1-Boc-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
- 분자식
- C15H19NO4
- 분자량
- 277.32
이름 및 동의어
1-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid1-((Tert-butoxy)carbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acidRefChem:418922674-831-8123811-87-01-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid1-Boc-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid1-boc-3,4-dihydro-2h-quinoline-2-carboxylic acidMFCD041152771-boc-1,2,3,4-tetrahydroquinoline-2-carboxylic acid1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-2-carboxylic acidSCHEMBL1050563
이름 더 보기
1-BOC-1,2,3,4-테트라히드로-퀴놀린-2-카르복실산REF DUPL: 1-Boc-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid3,4-DIHYDRO-2H-QUINOLINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER1-Boc-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid, CAS 123811-87-01,2(2H)-Quinolinedicarboxylic acid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
SCHEMBL29443098DTXSID10600333NGYOAZMYTIAOTI-UHFFFAOYSA-N1-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylicacidAKOS015841426AB19850AB19851SB32102
데이터베이스 식별자
- CAS
123811-87-0- PubChem CID
- 19823205
- DTXSID
DTXSID10600333- EC Number
- 674-831-8
물성
구조 계산 물성보충 중
- XLogP
- 2.7
- 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
- 끓는 점
- 428.8 · 428.8±44.0 °C(Predicted)
- 밀도
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 3.78 · 3.78±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2933491090
관련 반응
2건
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