4-[4-(tert-부톡시카르보닐)피페라지노]벤조산

4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid

HCID 2795508

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 162046-66-4
표준 SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1
InChIKey: BEDWYXZFIYMEJG-UHFFFAOYSA-N
분자식: C16H22N2O4
평균 분자량: 306.36 g/mol
단동위원소 질량: 306.15795718

이름 및 식별자

우선 이름: 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid
IUPAC: 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
현지명: 4-[4-(tert-부톡시카르보닐)피페라지노]벤조산
영어명: 4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid
분자식: C16H22N2O4
분자량: 306.36

이름 및 동의어

162046-66-44-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzoic acid4-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoic acidDTXSID40383728RefChem:287816DTXCID60334752630-156-04-[4-(tert-butoxycarbonyl)piperazino]benzoic acid4-(4-carboxyphenyl)piperazine-1-carboxylic acid tert-butyl esterMFCD04115067Boc-piperazine-benzoic acid4-(4-boc-1-piperazineyl)benzoic acid

이름 더 보기

4-[4-(tert-부톡시카르보닐)피페라지노]벤조산BUTTPARK 98\06-974-[N-Boc-piperazino]benzoic acid4-(4-Boc-piperazin-1-yl)-benzoic a4-(4-Boc-1-piperazinyl)benzoic Acid1-(4-carboxyphenyl)-4-Boc piperazine1-BOC-4-(4-CARBOXY-PHENYL)-PIPERAZINE

4-(4-Carboxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester4-(4-boc-piperazin-1-yl)benzoic acid4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic Acid1-(4-boc-piperazin-1-yl)-benzoic acid1-piperazinecarboxylic acid, 4-(4-carboxyphenyl)-, 1-(1,1-dimethylethyl) esterCS-W0139654-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}benzoic acid4-(4-boc-piperazin-1-yl)-benzoic acid

데이터베이스 식별자

CAS: 162046-66-4
PubChem CID: 2795508
DTXSID: DTXSID40383728
EC Number: 630-156-0

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 70.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 403

물리화학적 성질

녹는점: 50 °C · 50 °C
끓는 점: 476.9 · 476.9±40.0 °C(Predicted)
밀도: 1.213 · 1.213±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 5.12 · 5.12±0.10(Predicted)
색상: 회백색
InChI: 1S/C16H22N2O4/c1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-6-4-12(5-7-13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)
InChIKey: BEDWYXZFIYMEJG-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

HS 번호: 2933599590
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 22-26-36/37/39
위험 참고 사항: Harmful
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

tert-Butyl 4-(4-carbamoylphenyl)piperazine-1-carboxylate 4-Piperazin-1-yl-benzoic acid

공급사100 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

화합물 노트

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