基本情報
- CAS
140-79-4- 標準SMILES
O=NN1CCN(N=O)CC1- InChIKey
WNSYEWGYAFFSSQ-UHFFFAOYSA-N- 分子式
- C4.H8.N4.O2
- 平均分子量
- 144.13 g/mol
- 単同位体質量
- 144.06472551
概要
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)
名称と識別子
- 優先名称
- N,N'-Dinitrosopiperazine
- IUPAC
- 1,4-dinitrosopiperazine
- 現地名
- 1,4-ジニトロソピペラジン
- 英語名
- N,N'-DINITROSOPIPERAZINE
- 分子式
- C4H8N4O2
- 分子量
- 144.13
名称と別名
1,4-DINITROSOPIPERAZINE140-79-4N,N'-DinitrosopiperazineDinitrosopiperazineDinitrosopiperazinN-DinitrosopiperazineDNPZUSAF DO-36NSC 339DTXSID0020527NSC-339GU48C6581I
名称をさらに表示
1,4-ジニトロソピペラジン1,4-ジニトロソピペリジンnsc339usafdo-361,4-DinitroanilineTIMTEC-BB SBB008187
DTXCID00527RefChem:73326205-434-6Piperazine, 1,4-dinitroso-CarcinogenRifapentine Impurity 2NN'-Dinitrosopiperazine1,4-Dinitroso-piperazine
データベース識別子
- CAS
140-79-4- PubChem CID
- 8819
- DTXSID
DTXSID0020527- ChEMBL
CHEMBL1332- UNII
- GU48C6581I
- EC Number
- 205-434-6
- Nikkaji
- J2.951C
物性
構造計算による物性
- XLogP
- -0.8
- 極性表面積
- 65.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 115
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 208 · 208-210°C
- 沸点
- 262.72 °C · 262.72°C (rough estimate)
- 比重(密度)
- 1.4165 · 1.4165 (rough estimate)
- 屈折率
- 1.85 · 1.8500 (estimate)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全と保護具
Protective Action Criteria (PAC)
0.48 [mg/m3]
5.3 [mg/m3]
32 [mg/m3]
毒性情報
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.
化学と産業
薬理情報
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.
用途と製造
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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