1-Boc-4-(4-methoxycarbonylphenyl)piperazine

HCID 2795513
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기본 정보

CAS
158985-36-5
표준 SMILES
COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIKey
SMDBCJAJWDCJOP-UHFFFAOYSA-N
분자식
C17H24N2O4
평균 분자량
320.4 g/mol
단동위원소 질량
320.17360725

이름 및 식별자

우선 이름
1-Boc-4-(4-methoxycarbonylphenyl)piperazine
IUPAC
tert-butyl 4-(4-methoxycarbonylphenyl)piperazine-1-carboxylate
영어명
1-Boc-4-(4-methoxycarbonylphenyl)piperazine
분자식
C17H24N2O4
분자량
320.38

이름 및 동의어

1-Boc-4-(4-methoxycarbonylphenyl)piperazineRefChem:430092623-904-2158985-36-5tert-Butyl 4-(4-(methoxycarbonyl)phenyl)piperazine-1-carboxylatetert-butyl 4-(4-methoxycarbonylphenyl)piperazine-1-carboxylateMFCD06200865tert-Butyl 4-[4-(methoxycarbonyl)phenyl]piperazine-1-carboxylateTERT-BUTYL 4-[4-(METHOXYCARBONYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE1-PIPERAZINECARBOXYLIC ACID, 4-[4-(METHOXYCARBONYL)PHENYL]-, 1,1-DIMETHYLETHYL ESTER4-(4-METHOXYCARBOXYPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1-Boc-4-[4-(methoxycarbonyl)phenyl]-piperazine
이름 더 보기
BUTTPARK 99\06-01METHYL 4-(BOC-PIPERAZIN-1-YL)-BENZOATE1-BOC-4-(4-METHOXYCARBONYLPHENYL)PIPERA&1-Boc-4-(4-methoxycarboxyphenyl)piperazine1-Boc-4-(4-methoxycarbonylphenyl)piperazine 97%ert-butyl4-(4-methoxycarbonylphenyl)piperazine-1-carboxylate1-Boc-4-(4-methoxycarbonylphenyl)piperazine ISO 9001：2015 REACH
RBP4K7988BSCHEMBL2388387DTXSID90383733SMDBCJAJWDCJOP-UHFFFAOYSA-Ntert-Butyl 4-(4-methoxycarbonylphenyl)-piperazine-1-carboxylateSBB066894AKOS015897870AB23063

데이터베이스 식별자

CAS
158985-36-5
PubChem CID
2795513
DTXSID
DTXSID90383733
UNII
RBP4K7988B
EC Number
623-904-2

물성

구조 계산 물성

XLogP
2.6
극성 표면적
59.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
23

물리화학적 성질

녹는점
166 · 166-170 °C (lit.)
끓는 점
451.731 · 451.731±40.00 °C(Press: 760.00 Torr)(predicted)
밀도
1.153 · 1.153±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건
Store at room temperature
물리적 상태
solid
산도 계수 (pKa)
2.429 · 2.429±0.10(predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (100%)

안전 데이터

wgk
2
ridadr
UN 2811 6.1/PG 3
HS 번호
2933599590
risk_code
25-52/53
hazard_code
T
safety_code
45

화학 및 산업

상·하류 제품 정보

공급사44 곳

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

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