1-(1,4-벤조디옥산-2-카르보닐)피페라진

N-1,4-Benzodioxane-2-carbonyl piperazine

HCID 2735449CAS 70918-00-2

기본 정보

표준 SMILES
O=C(C1COc2ccccc2O1)N1CCNCC1
InChIKey
FLUPDJNTYCSBJZ-UHFFFAOYSA-N
분자식
C13H16N2O3
평균 분자량
248.28 g/mol
단동위원소 질량
248.11609238

이름 및 식별자

우선 이름
N-1,4-Benzodioxane-2-carbonyl piperazine
IUPAC
2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone
현지명
1-(1,4-벤조디옥산-2-카르보닐)피페라진
영어명
1-(1,4-Benzodioxane-2-carbonyl)piperazine
분자식
C13H16N2O3
분자량
248.28

이름 및 동의어

70918-00-2(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanoneN-1,4-Benzodioxane-2-carbonyl piperazine53FEH46OYEDOXAZOSIN IMPURITY BEC 700-374-11-(1,4-BENZODIOXAN-2-YLCARBONYL)PIPERAZINE2,3-dihydro-1,4-benzodioxin-2-yl(piperazin-1-yl)methanonePiperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-DOXAZOSIN MESILATE IMPURITY B [EP IMPURITY]1-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazine(2,3-Dihydrobenzo(1,4)dioxin-2-yl)piperazin-1-yl-methanone
이름 더 보기
1-(1,4-벤조디옥산-2-카르보닐)피페라진N-[(1,4-Benzodioxane-2-yl)carb2,3-Dihydro-1,4-Benzodioxan-2Yl-1,4-BENZODIOXAN-2-CARBOXYPIPERAZINE1-(1,4-BENZODIOXAN-2-CARBOXY)PIPERAZINE1-(1,4-Benzodioxane-2-carbonyl)piperazineN-(1,4-Benzodioxane-2-carbonyl)piperazine2-(1-Piperazinylcarbonyl)-1,4-benzodioxane6N-(1,4-benzodialkyl-2-carbonyl)piperazineN-[(1,4-BENZODIOXAN-2-YL)CARBONYL]PIPERAZINE
1-((2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)CARBONYL)PIPERAZINE1-((2RS)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLCARBONYL)PIPERAZINEMETHANONE, (2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)-1-PIPERAZINYL-PIPERAZINE, 1-((2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)CARBONYL)-(2,3-DIHYDROBENZO(B)(1,4)DIOXIN-2-YL)(PIPERAZIN-1-YL)METHANONEDOXAZOSIN MESILATE IMPURITY B (EP IMPURITY)1-[(2rs)-2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl]piperazineRefChem:828753

데이터베이스 식별자

CAS
70918-00-2
PubChem CID
2735449
UNII
53FEH46OYE
EC Number
700-374-1
Nikkaji
J1.082.664K

물성

구조 계산 물성

XLogP
0.7
극성 표면적
50.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
18

물리화학적 성질

녹는점
103 to · 103.0 to 107.0 °C
끓는 점
437.2 · 437.2±45.0 °C(Predicted)
밀도
1.246 · 1.246±0.06 g/cm3(Predicted)
용해도
메탄올에 용해됨
산도 계수 (pKa)
8.32 · 8.32±0.10(Predicted)
물리적 상태
가루

화학적 성질

White or light brown powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 7.1% (1 of 14) of reports.

Danger

H301 (64.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (64.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (64.3%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (21.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (64.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (64.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 14 reports by companies.;There are 5 notifications provided by 13 of 14 reports by companies with hazard statement code(s).;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

Regulatory InformationStatus: Active Update: 05-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1551
Hazard Classes and CategoriesAcute Tox. 3 (64.3%);Acute Tox. 4 (14.3%);Acute Tox. 3 (64.3%);Skin Irrit. 2 (28.6%);Eye Irrit. 2A (28.6%);Acute Tox. 3 (64.3%);STOT SE 3 (21.4%);STOT RE 2 (64.3%);Aquatic Chronic 2 (64.3%)

규제 정보

Regulatory InformationStatus: Active Update: 05-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1551

안전 데이터

HS 번호
2933.59.9500
risk_code
23/24/25-48/22-51/53
hazard_code
Xi,N,T
safety_code
53-45-61
위험 등급
IRRITANT

화학 및 산업

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海华恩医药科技有限公司+86-13681955282 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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17건

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