Basic information
- Standard SMILES
Cc1ccnc(N)c1- InChIKey
ORLGLBZRQYOWNA-UHFFFAOYSA-N- Molecular formula
- C6H8N2
- Average molar mass
- 108.14 g/mol
- Monoisotopic mass
- 108.06874826
Names & identifiers
- Preferred name
- 2-Amino-4-methylpyridine
- IUPAC
- 4-methylpyridin-2-amine
- English name
- 4-Methylpyridin-2-amine
- Molecular formula
- C6H8N2
- Molecular weight
- 108.14
Names & synonyms
2-amino-4-methylpyridine4-METHYLPYRIDIN-2-AMINE695-34-12-Amino-4-picolineAminopicolineAscensil2-Pyridinamine, 4-methyl-4-Methyl-2-pyridinamine4-Methyl-2-aminopyridine4-Methyl-2-pyridylamine4-PICOLINE, 2-AMINO-RA 1226
Show more names
Rifaximin EP Impurity Aw45W 454M2APra1226NSC 1490
VMI 20-4DTXSID1044720NSC-1490NSC-6972394N1Z644HRA-1226DTXCID9024720NSC-176165
Database identifiers
- CAS
695-34-1- PubChem CID
- 1533
- DTXSID
DTXSID1044720- ChEMBL
CHEMBL40833- UNII
- 394N1Z644H
- EC Number
- 211-780-9
- Nikkaji
- J31.382C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72
Experimental & physicochemical properties
Kovats Retention Index
1153
1113
1952；2001
Collision Cross Section118.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1044720]；119.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1044720]
Physicochemical properties
- Melting point
- 96 · 96-99 °C (lit.)
- Boiling point
- 230 °C · 230 °C (lit.)
- Density
- 1.0275 · 1.0275 (estimate)
- vapor pressure
- 3.71 Pa · 3.71Pa at 25℃
- refractive index
- 1.556 · 1.5560 (estimate)
- Flash point
- 118 °C · 118 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMF: freely soluble
- form
- Flakes
- pka
- 1 · pK1: 7.48(+1) (25°C)
- color
- Slightly yellow to beige or brown
- Water Solubility
- SOLUBLE
- Sensitive
- Hygroscopic
- Merck
- 14 · 14,466
- BRN
- 107066 · 107066
- InChI
- 1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
- InChIKey
- ORLGLBZRQYOWNA-UHFFFAOYSA-N
- SMILES
- Cc1ccnc(N)c1
- LogP
- 0.56 · 0.56-1.08
- CAS DataBase Reference
- 695 · 695-34-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 394 N1Z644H · 394N1Z644H
- NIST Chemistry Reference
- 2 · 2-Pyridinamine, 4-methyl-(695-34-1)
- EPA Substance Registry System
- 2 · 2-Pyridinamine, 4-methyl- (695-34-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H373
- Precautionary statements
- 280 · P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P314
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T
- Risk Statements
- 45 · 45-46-60-61-8-21-25-26-34-42/43-48/23-50/53-36/37/38-33-23/24/25
- Safety Statements
- 53 · 53-45-60-61-37/39-28A-26-36/37/39
- RIDADR
- 3086 · UN 3086 6.1/PG 1
- WGK Germany
- 3 · 3
- RTECS
- 5150000 · TJ5150000
- 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 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
- Toxicity
- 50 oral · LD50 oral in rat: 200mg/kg
- 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
This chemical does not meet GHS hazard criteria for 0.8% (1 of 122) of reports.
Danger
H301 (99.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (47.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (64.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (61.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (32.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (64.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (32.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 122 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 122 reports by companies.；There are 14 notifications provided by 121 of 122 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Status: Active Update: 07-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20101
2-Amino-4-methylpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (99.2%)；Acute Tox. 3 (47.5%)；Skin Irrit. 2 (64.8%)；Eye Irrit. 2 (61.5%)；Acute Tox. 3 (32.8%)；STOT SE 3 (64.8%)；STOT RE 2 (32.8%)
Regulatory information
Regulatory Information
Status: Active Update: 07-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20101
2-Amino-4-methylpyridine: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TJ5150000
- ridadr
- UN 3086 6.1/PG 1
- hs_code
- 29333999
- Toxicity
- LD50 oral in rat: 200mg/kg
- risk_code
- 45-46-60-61-8-21-25-26-34-42/43-48/23-50/53-36/37/38-33-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 53-45-60-61-37/39-28A-26-36/37/39
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H301+H311+H331-H373
- 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 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P314
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pyridinamine, 4-methyl-: ACTIVE
Applications
UsesIntermediate, medicine.
Uses4-Methylpyridin-2-amine has been used in the synthesis of 2-amino-4-methyl-pyridinium 2-hy-droxy-benzoate. It is potent inhibitor of NOS2 (iNOS) in vitro. It is used as pharmaceutical intermediate.
General Description4-Methylpyridin-2-amine acts as ligand and forms methoxo-bridged copper(II) complexes.
Upstream & downstream products
Upstream raw materials
Downstream products
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