기본 정보
- CAS
140-79-4- 표준 SMILES
O=NN1CCN(N=O)CC1- InChIKey
WNSYEWGYAFFSSQ-UHFFFAOYSA-N- 분자식
- C4.H8.N4.O2
- 평균 분자량
- 144.13 g/mol
- 단동위원소 질량
- 144.06472551
개요
Carcinogen is any chemical, biological or physical agents that increase the risk of neoplasms in humans or animals. Carcinogens include natural or synthesized compounds, certain viruses, and various sources of radiation. A carcinogen may directly alter the genetic material of cells (genotoxic), thereby initiating or promoting the process of malignant transformation; it also may induce cancers by mechanisms that do not involve a direct alteration of cellular genetic material (non-genotoxic). (NCI04)
이름 및 식별자
- 우선 이름
- N,N'-Dinitrosopiperazine
- IUPAC
- 1,4-dinitrosopiperazine
- 현지명
- N,N'-디니트로소피페라진
- 영어명
- N,N'-DINITROSOPIPERAZINE
- 분자식
- C4H8N4O2
- 분자량
- 144.13
이름 및 동의어
1,4-DINITROSOPIPERAZINE140-79-4N,N'-DinitrosopiperazineDinitrosopiperazineDinitrosopiperazinN-DinitrosopiperazineDNPZUSAF DO-36NSC 339DTXSID0020527NSC-339GU48C6581I
이름 더 보기
N,N'-디니트로소피페라진nsc339usafdo-361,4-DinitroanilineTIMTEC-BB SBB008187
DTXCID00527RefChem:73326205-434-6Piperazine, 1,4-dinitroso-CarcinogenRifapentine Impurity 2NN'-Dinitrosopiperazine1,4-Dinitroso-piperazine
데이터베이스 식별자
- CAS
140-79-4- PubChem CID
- 8819
- DTXSID
DTXSID0020527- ChEMBL
CHEMBL1332- UNII
- GU48C6581I
- EC Number
- 205-434-6
- Nikkaji
- J2.951C
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 65.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 115
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitrosamines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP
-0.85
-0.85
Color/FormPALE YELLOW PLATES FROM WATER
SolubilitySLIGHTLY SOL IN WATER, ACETONE; VERY SOL IN HOT ALCOHOL
Melting Point
158 °C
158 °C
Vapor Pressure0.00019 [mmHg]
Physical DescriptionPale yellow solid; [HSDB]
물리화학적 성질
- 녹는점
- 208 · 208-210°C
- 끓는 점
- 262.72 °C · 262.72°C (rough estimate)
- 밀도
- 1.4165 · 1.4165 (rough estimate)
- 굴절률
- 1.85 · 1.8500 (estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryEmergency treatment: Piperazine; Piperazine can cause vomiting, confusion, seizures, and coma at therapeutic levels (75 mg/kg/day) in patients with normal renal function; [HSDB] An irritant; [MP MSDS] See Piperazine and salts.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 및 보호
Protective Action Criteria (PAC)
0.48 [mg/m3]
5.3 [mg/m3]
32 [mg/m3]
독성 정보
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity Excerpts
CARCINOGENIC ACTIVITY OF NITROSO COMPD: 1,4-DINITROSOPIPERAZINE AFFECTED THE ESOPHAGUS, LIVER, NASAL CAVITIES, & FORESTOMACH OF RATS; IN MICE AFFECTED LUNG & LIVER. /FROM TABLE/
ADULT MICE WERE TREATED FOR 1 YR, PREGNANT MOTHERS IN 3RD TRIMESTER OF PREGNANCY, & LACTATING MOTHERS FOR 1ST 20 DAYS POSTPARTUM WITH DINITROSOPIPERAZINE. DEATHS ATTRIBUTABLE TO ACUTE TOXIC EFFECT AMOUNTED TO 15% AMONG TREATED ADULT MICE & 57% IN TRANSMATERNALLY EXPOSED MICE.
화학 및 산업
약리 정보
Metabolism/MetabolitesAFTER ADMIN OF (2,5-(14)C)-DINITROSOPIPERAZINE TO RATS TWO OF THE URINE METABOLITES WERE IDENTIFIED AS 3-HYDROXYNITROSOPYRROLIDINE & 1-NITROSOPIPERAZINONE-(3).
MeSH Pharmacological ClassificationSubstances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Absorption, Distribution and ExcretionAFTER IP ADMIN OF 10 MG/69.5 MUCI PER KG (2,5-(14)C)-N,N'-DINITROSOPIPERAZINE TO RATS 1% OF RADIOACTIVITY WAS EXHALED AS (14)CO2, 1% WAS EXCRETED VIA BILE & ABOUT 40% WAS EXCRETED IN URINE.
용도 및 제조
Uses
Used as a research chemical; Not commercially produced in the US; [HSDB]
RESEARCH CHEMICAL
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Consumption PatternsESSENTIALLY 100% AS A RESEARCH CHEMICAL
Methods of ManufacturingREACTION OF PIPERAZINE WITH NITRITE
General Manufacturing InformationPiperazine, 1,4-dinitroso-: ACTIVE
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