Grundinformationen
- Standard-SMILES
NCCCN- InChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-N- Summenformel
- C3H10N2
- Durchschnittliche Molmasse
- 74,13 g/mol
- Monoisotopische Masse
- 74,08439832
Überblick
1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 1,3-Propanediamine
- IUPAC
- propane-1,3-diamine
- Lokaler Name
- 1,3-Diamino-propan
- Englischer Name
- 1,3-Diaminopropane
- Summenformel
- C3H10N2
- Molmasse
- 74.12
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
109-76-2、54018-94-9- PubChem CID
- 428
- DTXSID
DTXSID1021906- ChEMBL
CHEMBL174324- ChEBI
CHEBI:15725- UNII
- CB3ISL56KG
- EC Number
- 203-702-7、611-082-8
- Nikkaji
- J1.969K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,4
- Polarare Oberfläche (TPSA)
- 52 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 12,4
Experimentelle und physikochemische Eigenschaften
LogP
-1.43
-1.43
Density
0.881 at 68 °F (NTP, 1992) - Less dense than water; will float
0.8881 @25 °C
Boiling Point
275.9 °F at 738 mmHg (NTP, 1992)
139.80 °C. @ 760.00 mm Hg
Melting Point
10 °F (NTP, 1992)
-12 °C
-12 °C
Physical Description
1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)
Liquid
Colorless to yellow liquid with an amine odor; [CHEMINFO (MSDS)] Colorless liquid with an odor of amines; [CAMEO]
Liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- -12 °C · -12 °C
- Siedepunkt
- 140 °C · 140 °C(lit.)
- Dichte
- 0.888 g/mL · 0.888 g/mL at 25 °C(lit.)
- Dampfdruck
- 8 mm · <8 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.458(lit.)
- Flammpunkt
- 120 °F · 120 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.94 · 10.94(at 10℃)
- Aggregatzustand
- Liquid
- Farbe
- Clear
- PH
- 12 · >12 (100g/l, H2O, 20℃)
- Explosionsgrenze
- 2.8 · 2.8-15.2%(V)
- Wasserlöslichkeit
- SOLUBLE
- BRN
- 605277 · 605277
- Dielectric constant
- 9.6 · 9.6(Ambient)
- Stabilität
- Stable. Hygroscopic. Flammable - readily forms explosive mixtures with air. Incompatible with acid anhydrides, acid chlorides, acids, strong oxidizing agents.
- InChI
- 1S/C3H10N2/c4-2-1-3-5/h1-5H2
- InChIKey
- XFNJVJPLKCPIBV-UHFFFAOYSA-N
- SMILES
- NCCCN
- LogP
- -1.05 at · -1.05 at 25℃
- CAS Datenbank
- 109 · 109-76-2(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1,3-Propanediamine(109-76-2)
- EPA chemische Informationen
- 1 · 1,3-Diaminopropane (109-76-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 251 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: 1,3-Propanediamine
1,3-Propanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine 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: 10-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11978
1,3-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Corrosive to skin; [Quick CPC] Highly irritating or corrosive to skin and eyes; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS]
Hazard Classes and Categories
Flam. Liq. 3 (99.6%)
Flammable liquids - Category 2
Sicherheit und Schutzausrüstung
Fire Fighting
This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)
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.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Protective Action Criteria (PAC)
0.93 [mg/m3]
10 [mg/m3]
62 [mg/m3]
Toxikologische Informationen
Sicherheitsdaten
- F
- 34
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2922 8/PG 2
- hs_code
- 29212900
- RTECS-Nr.
- TX6825000
- risk_code
- 10-22-24-35
- Toxizität
- LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rabbit 200 mg/kg
- hazard_code
- T,C
- safety_code
- 26-36/37/39-45-25-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Resp. Sens. 1BSkin Corr. 1BSkin Sens. 1B
- Selbstentzündungstemperatur
- 662 °F
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Propanediamine: ACTIVE
Anwendungen
Verwenden1,3-Diaminopropane is commonly used in the preparation of cholinesterase inhibitors and thrombosis inhibitors. It is also used as a polymer cross linkage agent, polyurethane extender and spray coatings. It is involved in the preparation of agrochemicals and pharmaceutical intermediates. Further, it acts as a building block in the synthesis of heterocyclic compounds, which finds application in textile finishing. In addition to this, it is used as a ligand and form coordination complexes. 1,3-Diaminopropane is also utilized for the production of a chelating agent used in the photo industry and for anticorrosion agents.
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Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: 1,3-Diaminopropane is an alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. It has a role as a reagent, a human metabolite and a mouse metabolite. It is a conjugate base of a trimethylenediaminium.
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