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10201-73-7 molecular structure
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4-methoxypyridin-2-amine

ChemBase ID: 21445
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
c1cnc(cc1OC)N
Canonical SMILES:
COc1ccnc(c1)N
InChI:
InChI=1S/C6H8N2O/c1-9-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
InChIKey:
QPHBCOSULYSASF-UHFFFAOYSA-N

Cite this record

CBID:21445 http://www.chembase.cn/molecule-21445.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxypyridin-2-amine
IUPAC Traditional name
4-methoxypyridin-2-amine
Synonyms
(4-Methoxypyridin-2-yl)amine
4-(Methyloxy)-2-pyridinamine
4-Methoxy-2-aminopyridine
4-Methoxy-pyridin-2-ylamine
4-Methoxy-pyridin-2-ylamine
4-Methoxypyridin-2-amine
2-Amino-4-methoxypyridine
4-methoxypyridin-2-amine
CAS Number
10201-73-7
MDL Number
MFCD07437849
PubChem SID
160984752
PubChem CID
10898715

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.101786  LogD (pH = 7.4) -0.4185638 
Log P 0.3634337  Molar Refractivity 35.3782 cm3
Polarizability 13.0886 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Pale Yellow Solid expand Show data source
Melting Point
117-119°C expand Show data source
120-121°C expand Show data source
99 - 101°C expand Show data source
Partition Coefficient
0.4 expand Show data source
Hydrophobicity(logP)
0.762 expand Show data source
Storage Condition
Refrigerator, Under Inert Atmosphere expand Show data source
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H8N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - ADE000353 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com
Legal Information
Product of Adesis
Toronto Research Chemicals - A611995 external link
2-Amino-4-methoxypyridine is a highly selective inducible nitric oxide synthase inhibitors.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Connolly, S. et al.: J. Med. Chem., 47, 3320 (2004)
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PATENTS

PATENTS

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INTERNET

INTERNET

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