Grundinformationen
- Standard-SMILES
Nc1cccnc1- InChIKey
CUYKNJBYIJFRCU-UHFFFAOYSA-N- Summenformel
- C5H6N2
- Durchschnittliche Molmasse
- 94,11 g/mol
- Monoisotopische Masse
- 94,05309819
Überblick
RN given refers to parent cpd
Namen und Bezeichner
- Bevorzugter Name
- 3-Aminopyridine
- IUPAC
- pyridin-3-amine
- Lokaler Name
- 3-Pyridylamin
- Englischer Name
- 3-Aminopyridine
- Summenformel
- C5H6N2
- Molmasse
- 94.11
Namen und Synonyme
3-AMINOPYRIDINE462-08-83-Pyridinaminem-Aminopyridinebeta-AminopyridineDTXSID9047461UN267169JE8P2L84NSC-15040DTXCID7027461UN-2671RefChem:911164
Weitere Namen anzeigen
462-08-0462-08-03APYNSC 15040AKOS 909773-Pyridylamin
207-322-2pyridin-3-amine3-PyridylamineAmino-3 pyridinePyridine, 3-amino-3-amino pyridinepyridin-3-ylamine.beta.-Aminopyridine
Datenbank-Bezeichner
- CAS
462-08-8- PubChem CID
- 10009
- DTXSID
DTXSID9047461- ChEMBL
CHEMBL25541- UNII
- 69JE8P2L84
- EC Number
- 207-322-2
- Nikkaji
- J1.535K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 38,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 54
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesMolecular structure
LogP0.05
Flash Point190.4 °F
Boiling Point483.8 °F
Melting Point147.2 °F
Vapor Pressure0.43 [mmHg]
Physical Description
Other Solid
Solid; [Merck Index] Brown solid; [NTP] White to light brown solid with an unpleasant odor; [OSHA] Brown crystalline solid; [Alfa Aesar MSDS]
White to yellow-brown crystals with an unpleasant odor.
Ionization Efficiency
Positive
3.09
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section115.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9047461]
Physikochemische Eigenschaften
- Schmelzpunkt
- 60 · 60-63 °C(lit.)
- Siedepunkt
- 248 °C · 248 °C(lit.)
- Dichte
- 1.0308 · 1.0308 (estimate)
- Brechungsindex
- 1.556 · 1.5560 (estimate)
- Flammpunkt
- 124 °C · 124 °C
- storage temp.
- Poison room
- Löslichkeit
- 1000 g/l · >1000g/l
- Aggregatzustand
- Liquid
- pka
- 6.04 · 6.04(at 25℃)
- Farbe
- Clear colorless to yellow
- PH
- 10 · 10 (100g/l, H2O, 20℃)
- Wasserlöslichkeit
- It is soluble in water as well as soluble in alcohol, benzene.
- Merck
- 14 · 14,473
- BRN
- 105692 · 105692
- InChI
- 1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2
- InChIKey
- CUYKNJBYIJFRCU-UHFFFAOYSA-N
- SMILES
- Nc1cccnc1
- LogP
- 0.11 · 0.110
- CAS Datenbank
- 462 · 462-08-8(CAS DataBase Reference)
- NIST chemische Informationen
- 3 · 3-Pyridinamine(462-08-8)
- EPA chemische Informationen
- 3 · 3-Aminopyridine (462-08-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300 (15%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 3-Pyridinamine
3-Pyridinamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Pyridinamine 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: 29-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16757
3-Aminopyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes convulsions in intracerebral lethal-dose studies of mice; Intravenous LD50 (mouse) = 24 mg/kg; [RTECS] Readily absorbed through skin; [NTP] A skin, eye, and mucous membrane irritant; Toxic by ingestion; [ToxPlanet: OSHA] A skin and strong eye irritant; Harmful by skin absorption; Toxic by ingestion; Oral LD50 (rat) = 50-200 mg/kg; [Alfa Aesar MSDS] See 2-Aminopyridine.
Hazard Classes and CategoriesAcute Tox. 2 (15%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Sicherheitsdaten
- F
- 3-8-9-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2671 (AMINOPYRIDINES (o-, m-, p,))
- hs_code
- 29333999
- RTECS-Nr.
- US1650000
- risk_code
- 23/24/25-33-36/37/38-25
- Toxizität
- LD50 ipr-mus: 28 mg/kg JMCMAR 8,296,65
- hazard_code
- T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 36/37/39-45-37/39-28B-26
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT RE 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make pharmaceuticals and dyes; [Merck Index] Also used to make agrochemicals and as a plant growth regulator; [NTP]
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
3-Pyridinamine: ACTIVE
Anwendungen
Verwenden3-Aminopyridine is a monosubstituted pyridine that shows convulsive effects on cortical Neurons. 3-Aminopyridine is used in the synthesis of of organic ligand 3-Pyridylnicotinamide. 3-Aminopyridine al ong with other aminopyridines have been shown to reversibly block voltage-dependent potassium channels,
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