기본 정보
- CAS
170911-92-9- 표준 SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)CC1- InChIKey
RXFHRKPNLPBDGE-UHFFFAOYSA-N- 분자식
- C15H23N3O2
- 평균 분자량
- 277.36 g/mol
- 단동위원소 질량
- 277.17902698
이름 및 식별자
- 우선 이름
- tert-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate
- 현지명
- 4-(4-아미노페닐)피페라진-1-카르복실산tert-부틸에스테르
- 영어명
- 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester
- 분자식
- C15H23N3O2
- 분자량
- 277.36
이름 및 동의어
170911-92-9Tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylateDTXSID20451853RefChem:383498DTXCID10402672858-140-04-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester1-BOC-4-(4-AMINOPHENYL)PIPERAZINE4-(4-Boc-piperazin-1-yl)anilineMFCD041150651-Boc-4-(4-amino-phenyl)-piperazine4-(4-Aminophenyl)-piperazine-1-carboxylic acid tert-butyl ester
이름 더 보기
4-(4-아미노페닐)피페라진-1-카르복실산tert-부틸에스테르Itraconazole Impurity 541-Boc-4-(4-aminophenyl)azine1-BOC-4-(4'-AMINOPHENYL)PIPERAZINE4-(4-Aminophenyl)piperazine, N1-BOC protected4-(4-aminophenyl)-1-t-butyloxycarbonylpiperazine4-(4-Aminophenyl)piperazine, N1-BOC protected 98%t-Butyl 4-(4-aminophenyl)piperazine-1-carboxylate
4-[4-aminophenyl]-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL55667Tert-butyl4-(4-aminophenyl)piperazine-1-carboxylateSCHEMBL6755296RXFHRKPNLPBDGE-UHFFFAOYSA-NALBB-030096EBC-80154AKOS009506204
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 58.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 325
물리화학적 성질
- 끓는 점
- 441.1 · 441.1±40.0 °C(Predicted)
- 밀도
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 산도 계수 (pKa)
- 7.69 · 7.69±0.10(Predicted)
- 물리적 상태
- 고체
- 수용성
- 물에 약간 용해됩니다.
- InChI
- InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11,16H2,1-3H3
- InChIKey
- RXFHRKPNLPBDGE-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCN(C2=CC=C(N)C=C2)CC1
안전 및 규제
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 (50%): 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. 2 (100%)；STOT SE 3 (50%)
안전 데이터
- HS 번호
- 2921420090
화학 및 산업
응용 분야
용도1-Boc-4-(4-aminophenyl)piperazine is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff.
상·하류 제품 정보
상류 원료
공급사100 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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