Basic information
- Standard SMILES
Nc1cccnc1- InChIKey
CUYKNJBYIJFRCU-UHFFFAOYSA-N- Molecular formula
- C5H6N2
- Average molar mass
- 94.11 g/mol
- Monoisotopic mass
- 94.05309819
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 3-Aminopyridine
- IUPAC
- pyridin-3-amine
- English name
- 3-Aminopyridine
- Molecular formula
- C5H6N2
- Molecular weight
- 94.11
Names & synonyms
3-AMINOPYRIDINE462-08-83-Pyridinaminem-Aminopyridinebeta-AminopyridineDTXSID9047461UN267169JE8P2L84NSC-15040DTXCID7027461UN-2671RefChem:911164
Show more names
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
Database identifiers
- CAS
462-08-8- PubChem CID
- 10009
- DTXSID
DTXSID9047461- ChEMBL
CHEMBL25541- UNII
- 69JE8P2L84
- EC Number
- 207-322-2
- Nikkaji
- J1.535K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 54
Experimental & physicochemical properties
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]
Physicochemical properties
- Melting point
- 60 · 60-63 °C(lit.)
- Boiling point
- 248 °C · 248 °C(lit.)
- Density
- 1.0308 · 1.0308 (estimate)
- refractive index
- 1.556 · 1.5560 (estimate)
- Flash point
- 124 °C · 124 °C
- storage temp.
- Poison room
- solubility
- 1000 g/l · >1000g/l
- form
- Liquid
- pka
- 6.04 · 6.04(at 25℃)
- color
- Clear colorless to yellow
- PH
- 10 · 10 (100g/l, H2O, 20℃)
- Water Solubility
- It is soluble in water as well as soluble in alcohol, benzene.
- Sensitive
- Air Sensitive & Hygroscopic
- 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 DataBase Reference
- 462 · 462-08-8(CAS DataBase Reference)
- FDA UNII
- 69 JE8P2L84 · 69JE8P2L84
- NIST Chemistry Reference
- 3 · 3-Pyridinamine(462-08-8)
- EPA Substance Registry System
- 3 · 3-Aminopyridine (462-08-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330-H315-H319-H411
- Precautionary statements
- 501 · P501-P273-P260-P270-P262-P271-P264-P280-P284-P391-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P310-P304+P340+P310-P403+P233-P405
- target organs
- Respiratory system
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T,Xi
- Risk Statements
- 23 · 23/24/25-33-36/37/38-25
- Safety Statements
- 36 · 36/37/39-45-37/39-28B-26
- RIDADR
- 2671 · UN 2671 (AMINOPYRIDINES (o-, m-, p,))
- WGK Germany
- 3 · 3
- RTECS
- 1650000 · US1650000
- F
- 3 · 3-8-9-23
- Hazard Note
- Toxic/Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29333999 · 29333999
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT RE 2STOT SE 3
- Toxicity
- 50 ipr-mus: · LD50 ipr-mus: 28 mg/kg JMCMAR 8,296,65
- REACH Registrations
- Active
- Limited Quantities
- 100 ml · 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
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.
Hazard information
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%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Safety data
- F
- 3-8-9-23
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- US1650000
- ridadr
- UN 2671 (AMINOPYRIDINES (o-, m-, p,))
- hs_code
- 29333999
- Toxicity
- LD50 ipr-mus: 28 mg/kg JMCMAR 8,296,65
- risk_code
- 23/24/25-33-36/37/38-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 36/37/39-45-37/39-28B-26
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H300+H310+H330-H315-H319-H411
- Limited Quantities
- 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT RE 2STOT SE 3
- Precautionary statements
- P501-P273-P260-P270-P262-P271-P264-P280-P284-P391-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P310-P304+P340+P310-P403+P233-P405
Chemistry & industry
Uses & manufacturing
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
Applications
Uses3-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,
Uses3-Aminopyrodine is also used as an intermediate for agrochemicals, pharmaceuticals and colorants. These are involved in photosensitizer chemistry, luminescent materials, metal complex chemistry and liquid crystal. Aminopyridine is used as a monomer for polymerization. It is also used in the Production of cationic dyes and Apa amoxicillin sodium raw materials.
Usesmanufacture of pharmaceuticals and dyes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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