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기본 정보
- CAS
218278-58-1- 표준 SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1C(=O)O- InChIKey
ZVHNNCSUTNWKFC-UHFFFAOYSA-N- 분자식
- C25H28N2O6
- 평균 분자량
- 452.5 g/mol
- 단동위원소 질량
- 452.19473662
이름 및 식별자
- 우선 이름
- 1-((tert-butoxy)carbonyl)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazine-2-carboxylic acid
- IUPAC
- 4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
- 현지명
- 1-Boc-4-Fmoc-2-피페라진카르복실산
- 영어명
- 1-Boc-4-Fmoc-2-piperazinecarboxylic acid
- 분자식
- C25H28N2O6
- 분자량
- 452.5
이름 및 동의어
1-[(TERT-BUTOXY)CARBONYL]-4-{[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}PIPERAZINE-2-CARBOXYLIC ACID1-((tert-butoxy)carbonyl)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazine-2-carboxylic acidRefChem:419044672-410-3218278-58-11-boc-4-fmoc-2-piperazinecarboxylic acidN-1-Boc-N-4-Fmoc-2-piperazine carboxylic acid4-(((9h-fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acidMFCD010762174-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid1-Boc-4-Fmoc-piperazine-2-carboxylic acid4-fmoc-1-boc-piperazine-2-carboxylic acid
이름 더 보기
1-Boc-4-Fmoc-2-피페라진카르복실산1-N-BOC-4-N-FMOC-PIPERAZINE-2-CARBOXYLIC ACID1-N-BOC-4-N-FMOC-2-PIPERAZINE CARBOXYLIC ACIDN1-Boc-N4-Fmoc-piperazine-2-carboxylic acid≥ 98% (Assay)N-1-Boc-N-4-Fmoc-2-piperazine carboxylic acid, CAS 218278-58-1PIPERAZINE-2-CARBOXYLIC ACID, N1-BOC PROTECTED, N4-FMOC PROTECTED
n1-boc-n4-fmoc-piperazine-2-carboxylic acid4-(((9H-Fluoren-9-yl)methoxy)carbonyl)-1-(tert-Butoxycarbonyl)piperazine-2-carboxylicacidZVHNNCSUTNWKFC-UHFFFAOYSA-N(2R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acidMLS000877458SCHEMBL656294CHEMBL2143413DTXSID00373544
데이터베이스 식별자
- CAS
218278-58-1- PubChem CID
- 2756797
- DTXSID
DTXSID00373544- ChEMBL
CHEMBL2143413- EC Number
- 672-410-3
물성
구조 계산 물성보충 중
- XLogP
- 3.5
- 극성 표면적
- 96.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 728
물리화학적 성질
- 녹는점
- 156 °C · 156 °C
- 끓는 점
- 624.4 · 624.4±55.0 °C(Predicted)
- 밀도
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.68 · 3.68±0.20(Predicted)
화학적 성질
White solid
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)
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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xn
- safety_code
- 26-36/37/39-22
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