Basic information
- CAS
6937-03-7- Standard SMILES
COC(=O)c1ccnc(N)c1- InChIKey
SVWWNEYBEFASMP-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- Methyl 2-aminopyridine-4-carboxylate
- IUPAC
- methyl 2-aminopyridine-4-carboxylate
- English name
- Methyl 2-aminopyridine-4-carboxylate
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
Methyl 2-aminopyridine-4-carboxylateDTXSID00284984RefChem:814117DTXCID50236135627-546-8methyl 2-aminoisonicotinate6937-03-72-Aminopyridine-4-carboxylic acid methyl esterMFCD04039316methyl 2-azanylpyridine-4-carboxylateMethyl2-Aminoisonicotinate2-Aminoisonicotinic Acid Methyl Ester
Show more names
NSC 40138Methyl 2-aMinopyCHEMBRDG-BB 40151272-aminopyridine-4-carboxyL2- aMinoMethyl isonicotinateMethyl2-Aminoisonicotinate>Methyl 2-aminoisonicotinate 98%Methyl 2-aminoisonicotinate, 98%
Methyl-2-aminoisonicotinate2-amino-4-pyridinecarboxylic acid methylester2-Amino-4-pyridinecarboxylic Acid Methyl Ester; 2-Aminoisonicotinic Acid Methyl Ester; Methyl 2-Amino-4-pyridinecarboxylate; NSC 40138;Methyl2-aminopyridine-4-carboxylateNSC401382-AMINO-4-PYRIDINECARBOXYLIC ACID METHYL ESTER4-PYRIDINECARBOXYLIC ACID, 2-AMINO-, METHYL ESTERMETHYL-2-AMINOPYRIDINE-4-CARBOXYLATE
Database identifiers
- CAS
6937-03-7- PubChem CID
- 236984
- DTXSID
DTXSID00284984- EC Number
- 627-546-8
- Nikkaji
- J81.302H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 144 · 144-148 °C
- Boiling point
- 296.1 · 296.1±20.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform
- pka
- 4.89 · 4.89±0.11(Predicted)
- form
- Crystalline Powder
- color
- White to brown
- Water Solubility
- Insoluble in water.
- BRN
- 128642 · 128642
- InChI
- InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)
- InChIKey
- SVWWNEYBEFASMP-UHFFFAOYSA-N
- SMILES
- C1(N)=NC=CC(C(OC)=O)=C1
- CAS DataBase Reference
- 6937 · 6937-03-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-41-20/22
- Safety Statements
- 26 · 26-36-26/36-39-36/37/39-22
- WGK Germany
- 2 · WGK 2
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Eye Dam. 1
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (17%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- WGK 2
- hs_code
- 29333990
- risk_code
- 36/37/38-41-20/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-36-26/36-39-36/37/39-22
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 2-aminopyridine-4-carboxylate is an inhibitor of nitrogen monoxide synthetase.
UsesA nitrogen monoxide synthetase inhibitor.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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HBCChem, Inc.+1-510-219-6317 · [email protected]
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Related reactions
73 records
Compound notes
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