Grundinformationen
- CAS
140-79-4- Standard-SMILES
O=NN1CCN(N=O)CC1- InChIKey
WNSYEWGYAFFSSQ-UHFFFAOYSA-N- Summenformel
- C4.H8.N4.O2
- Durchschnittliche Molmasse
- 144,13 g/mol
- Monoisotopische Masse
- 144,06472551
Überblick
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)
Namen und Bezeichner
- Bevorzugter Name
- N,N'-Dinitrosopiperazine
- IUPAC
- 1,4-dinitrosopiperazine
- Lokaler Name
- Dinitrosopiperazin
- Englischer Name
- N,N'-DINITROSOPIPERAZINE
- Summenformel
- C4H8N4O2
- Molmasse
- 144.13
Namen und Synonyme
1,4-DINITROSOPIPERAZINE140-79-4N,N'-DinitrosopiperazineDinitrosopiperazineDinitrosopiperazinN-DinitrosopiperazineDNPZUSAF DO-36NSC 339DTXSID0020527NSC-339GU48C6581I
Weitere Namen anzeigen
nsc339usafdo-361,4-DinitroanilineTIMTEC-BB SBB008187
DTXCID00527RefChem:73326205-434-6Piperazine, 1,4-dinitroso-CarcinogenRifapentine Impurity 2NN'-Dinitrosopiperazine1,4-Dinitroso-piperazine
Datenbank-Bezeichner
- CAS
140-79-4- PubChem CID
- 8819
- DTXSID
DTXSID0020527- ChEMBL
CHEMBL1332- UNII
- GU48C6581I
- EC Number
- 205-434-6
- Nikkaji
- J2.951C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,8
- Polarare Oberfläche (TPSA)
- 65,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 115
Experimentelle und physikochemische Eigenschaften
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- 208 · 208-210°C
- Siedepunkt
- 262.72 °C · 262.72°C (rough estimate)
- Dichte
- 1.4165 · 1.4165 (rough estimate)
- Brechungsindex
- 1.85 · 1.8500 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- -4.82 · -4.82±0.70(Predicted)
- Farbe
- White to Pale Yellow
- Wasserlöslichkeit
- 5.765 g/L · 5.765g/L(24 ºC)
- Henry's Law Constant
- 1.9 · 1.9×102 mol/(m3Pa) at 25℃, Mirvish et al. (1976)
- Stabilität
- Hygroscopic
- InChI
- InChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2
- InChIKey
- WNSYEWGYAFFSSQ-UHFFFAOYSA-N
- SMILES
- N1(N=O)CCN(N=O)CC1
- CAS Datenbank
- 140 · 140-79-4
- EPA chemische Informationen
- 1 · Piperazine, 1,4-dinitroso- (140-79-4)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
0.48 [mg/m3]
5.3 [mg/m3]
32 [mg/m3]
Toxikologische Informationen
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.
INCIDENCE OF TUMORS HIGHER IN TRANSMATERNALLY EXPOSED MICE. LATENCY TIME FOR APPEARANCE OF TUMORS IN TREATED ADULT MICE WAS SHORTER THAN IN CONTROLS.
MUTAGENIC ACTIVITY OF 7 NITROSOPIPERAZINES WAS EXAMINED IN X-LINKED RECESSIVE LETHAL ASSAY OF D MELANOGASTER. SUBSTITUTIONS WITH METHYL GROUPS @ ALL OF ALPHA-C ATOMS REDUCE OR ELIMINATE MUTAGENIC ACTIVITY OF DINITROSOPIPERAZINE.
DINITROSOPIPERAZINE & DEUTERIUM-CONTAINING ANALOGS WERE TESTED FOR REVERSION OF NONSENSE MUTATION IN TYR LOCUS OF ESCHERICHIA COLI WV 3610.
Sicherheitsdaten
- tsca
- TSCA listed
- Giftige Stoffe Daten
- 140-79-4(Hazardous Substances Data)
Chemie und Industrie
Pharmakologische Informationen
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.
Verwendung und Herstellung
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
Anwendungen
VerwendenN,N'-Dinitrosopiperazine (DNP) induces nasopharyngeal carcinoma (NPC) and shows organ specificity to the nasopharyneal epithelium.
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