HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Azaheptan-1,7-diamin
norspermidine · IBPA · 3,3'-IMINODIPROPYLAMINE · 3,3'-IMINOBISPROPYLAMINE · 3,3-DIAMINODIPROPYLAMINE · 3,3'-Diaminodipropylamine · NSC 7773 · FENTAMINE IBPA
Identifikatoren & physikalische Daten
| CAS No. | 56-18-8 |
|---|---|
| Summenformel | C6H17N3 |
| Durchschnittliche Molmasse | 131,22 g/mol |
| Monoisotopische Masse | 131,14224754 g/mol |
| SMILES | NCCCNCCCN |
| InChIKey | OTBHHUPVCYLGQO-UHFFFAOYSA-N |
| PubChem CID | 5942 |
| ChEMBL | CHEMBL28743 |
| ChEBI | CHEBI:16841 |
| EC No. | 200-261-2 |
| DTXSID | DTXSID0025440 |
| Lokaler Name | 4-Azaheptan-1,7-diamin |
Chemische & physikalische Eigenschaften
| XLogP | -1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 64,1 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 41,6 |
| Stoffklassen | Nitrogen Compounds -> Amines, AliphaticCorrosives |
| Kosmetika | Buffering |
| SpringerMaterials Properties | Fusion temperature |
| Dichte | 0.9307 at 68 °F (NTP, 1992) - Less dense than waterwill float0.938 @25 °C0.938 g/mL at 25 °C(lit.) |
| Löslichkeit | Soluble (>=10 mg/ml) (NTP, 1992)Completely miscible in waterChloroform (Slightly), Methanol (Slightly) |
| Flammpunkt | 175 °F (NTP, 1992)245 °F |
| Siedepunkt | 465.1 °F at 760 mmHg (NTP, 1992)235 °C @760 [mm Hg]151 °C50 mm Hg(lit.) |
| Schmelzpunkt | 5.9 °F (NTP, 1992)-14 °C−14 °C(lit.) |
| Dampfdichte | 4.52 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| Dampfdruck | 0.04 [mmHg] |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | 3,3'-iminodipropylamine appears as a colorless liquid. Less dense than water. Flash point of 170 °F. Very irritating to skin and eyes, and may be toxic by ingestion. Used to make soaps, dyes, and pharmaceuticals.[CAMEO] Colorless to golden liquid[NTP] |
| Brechungsindex | n20/D 1.481(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | pK1:8.02(+2)pK2:9.70(+1)pK3:10.70(0) (30°C) |
| Farbe | Colorless to Almost colorless |
| BRN | 1071254 |
| Stabilität | Air and light sensitive. Combustible. Incompatible with oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | BUFFERING |
| InChI | 1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 |
| InChIKey | OTBHHUPVCYLGQO-UHFFFAOYSA-N |
| SMILES | NCCCNCCCN |
| LogP (Verteilungskoeffizient) | -0.826 (est) |
| CAS Datenbank | 56-18-8(CAS DataBase Reference) |
| EPA chemische Informationen | Norspermidine (56-18-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Propanediamine, N1-(3-aminopropyl)-1,3-Propanediamine, N1-(3-aminopropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1-(3-aminopropyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 20-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/103611,3-Propanediamine, N-(3-aminopropyl)-: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· Combustible material: may burn but does not ignite readily. |
| Gesundheitsgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| Gefahrenübersicht | Corrosive to skin[Quick CPC] Irritating and corrosiveToxic by ingestion and inhalation[NTP] A severe eye and moderate skin irritantCauses dyspnea and cyanosis in lethal-concentration studies of rats[RTECS] Causes burnsMay cause skin sensitizationInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestionDermal LD50 (rat) between 200 and 400 mg/kg[Alfa Aesar MSDS] |
| DOT-Nummer und Handbuch | 2269 153 |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 3,3'-IMINODIPROPYLAMINE neutralize acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. This compound can react with oxidizing materials (NTP, 1992). |
| DOT Hazard Classification | 3,3'-IminodipropylamineUN2269Class 8 Corrosive material (49 eCFR § 173.136)PG III: the degree of danger presented by the material is minor |
| Air and Water Reactions | Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin corrosion - category 1AFlammable liquids - Category 4Corrosives, Flammable agents - 2nd degreeAcute Tox. 2 * |
| Brandbekämpfung | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.General First Aid: |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Freisetung ohne Brand | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Immediate precautionary measure |
| Protective Action Criteria (PAC) | 0.020 [mg/m3]0.22 [mg/m3]1.3 [mg/m3] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Emergency Response Planning Guidelines | Small Fire |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Toxicity Data | LC50 (rat) = 30 mg/m3/4hr |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2269 |
| Zollcode | 29252900 |
| RTECS-Nr. | JL9450000 |
| R-Sätze (R) | 22-24-26-35-43-68-48/20/21 |
| Gefahrensymbole | T+,C |
| Sicherheitshinweise (S) | 26-28-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Muta. 2Skin Corr. 1ASkin Sens. 1ASTOT RE 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
A structural homologue of the natural polyamine spermidine with antitumor activity that may make it useful as a antineoplastic agent.