Grundinformationen
- Standard-SMILES
NCCCNCCCN- InChIKey
OTBHHUPVCYLGQO-UHFFFAOYSA-N- Summenformel
- C6H17N3
- Durchschnittliche Molmasse
- 131,22 g/mol
- Monoisotopische Masse
- 131,14224754
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Bis(3-aminopropyl)amine
- IUPAC
- N'-(3-aminopropyl)propane-1,3-diamine
- Lokaler Name
- 4-Azaheptan-1,7-diamin
- Englischer Name
- DIPROPYLENETRIAMINE
- Summenformel
- C6H17N3
- Molmasse
- 131.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
56-18-8- PubChem CID
- 5942
- DTXSID
DTXSID0025440- ChEMBL
CHEMBL28743- ChEBI
CHEBI:16841- UNII
- RN1144MGND
- EC Number
- 200-261-2
- Nikkaji
- J9.891D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,4
- Polarare Oberfläche (TPSA)
- 64,1 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 41,6
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
Density
0.9307 at 68 °F (NTP, 1992) - Less dense than water; will float
0.938 @25 °C
Boiling Point
465.1 °F at 760 mmHg (NTP, 1992)
235 °C @760 [mm Hg]
Melting Point
5.9 °F (NTP, 1992)
-14 °C
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.
Liquid
Colorless liquid; [CAMEO] Colorless to golden liquid; [NTP]
Liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- 14 °C · −14 °C(lit.)
- Siedepunkt
- 151 °C50 · 151 °C50 mm Hg(lit.)
- Dichte
- 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.481(lit.)
- Flammpunkt
- 245 °F · 245 °F
- storage temp.
- 2 · 2-8°C
- Wasserlöslichkeit
- Completely miscible in water
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- clear liquid
- pka
- 1 · pK1:8.02(+2);pK2:9.70(+1);pK3:10.70(0) (30°C)
- Farbe
- Colorless to Almost colorless
- BRN
- 1071254 · 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
- -0.826 · -0.826 (est)
- CAS Datenbank
- 56 · 56-18-8(CAS DataBase Reference)
- EPA chemische Informationen
- Norspermidine (56-18-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302: 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)
Danger
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)
Gefahrenhinweise
Regulatory Information
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/10361
1,3-Propanediamine, N-(3-aminopropyl)-: Does not have an individual approval but may be used under an appropriate group standard
The 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.)
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
Hazards Summary
Corrosive to skin; [Quick CPC] Irritating and corrosive; Toxic by ingestion and inhalation; [NTP] A severe eye and moderate skin irritant; Causes dyspnea and cyanosis in lethal-concentration studies of rats; [RTECS] Causes burns; May cause skin sensitization; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Dermal LD50 (rat) between 200 and 400 mg/kg; [Alfa Aesar MSDS]
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'-Iminodipropylamine
UN2269
Class 8 Corrosive material (49 eCFR § 173.136)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Acute Tox. 4 (100%)
Skin corrosion - category 1A
Flammable liquids - Category 4
Corrosives, Flammable agents - 2nd degree
Acute Tox. 2 *
Sicherheit und Schutzausrüstung
Accidental Release Measures
· 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.
First Aid
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:
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]
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2269
- hs_code
- 29252900
- RTECS-Nr.
- JL9450000
- risk_code
- 22-24-26-35-43-68-48/20/21
- hazard_code
- T+,C
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Muta. 2Skin Corr. 1ASkin Sens. 1ASTOT RE 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Propanediamine, N1-(3-aminopropyl)-: ACTIVE
Anwendungen
VerwendenA structural homologue of the natural polyamine spermidine with antitumor activity that may make it useful as a antineoplastic agent.
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