6-Methoxy-3-pyridinylamine
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Basic information
- CAS
6628-77-9- Standard SMILES
COc1ccc(N)cn1- InChIKey
UUVDJIWRSIJEBS-UHFFFAOYSA-N- Molecular formula
- C6H8N2O
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.06366288
Names & identifiers
- Preferred name
- 6-Methoxy-3-pyridinylamine
- IUPAC
- 6-methoxypyridin-3-amine
- English name
- 5-Amino-2-methoxypyridine
- Molecular formula
- C6H8N2O
- Molecular weight
- 124.14
Names & synonyms
5-Amino-2-methoxypyridine6628-77-92-Methoxy-5-aminopyridine3-Pyridinamine, 6-methoxy-Pyridine, 5-amino-2-methoxy-6-Methoxy-3-pyridylamine6-methoxy-3-pyridinylamine6-METHOXY-3-PYRIDINAMINE6-methoxy-3-aminopyridineEINECS 229-612-8ATT39K5F0CNSC 59708
Show more names
6-METHOXYPYRIDIN-3-AMINE5-Amino-2-methoxy3-Amino-6-methoxypyOTAVA-BB BB70204100796-methoxy-3-pyridinamin6-methoxypyridin-3-amin2-Methoxypyridin-5-amine5-amino-2-methoxy-pyridin
BRN 01151553-AMINO-6-METHOXYPYRIDINENSC-59708DTXSID202164845-22-11-00408 (Beilstein Handbook Reference)(2-METHOXYPYRIDIN-5-YL)AMINERefChem:543653DTXCID20138975
Database identifiers
- CAS
6628-77-9- PubChem CID
- 81121
- DTXSID
DTXSID20216484- ChEBI
CHEBI:194950- UNII
- ATT39K5F0C
- EC Number
- 229-612-8
- Nikkaji
- J265.561F
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87
Experimental & physicochemical properties
Kovats Retention Index
1226
2165
Physicochemical properties
- Melting point
- 29 · 29-31 °C (lit.)
- Boiling point
- 85 · 85-90 °C/1 mmHg (lit.)
- Density
- 1.575 · 1.575
- refractive index
- 20 · n20/D 1.575(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Methanol (Slightly)
- form
- Liquid
- pka
- 4.33 · 4.33±0.10(Predicted)
- color
- Yellow-brown or red to very dark red
- Water Solubility
- Slightly soluble
- InChI
- 1S/C6H8N2O/c1-9-6-3-2-5(7)4-8-6/h2-4H,7H2,1H3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- US1836000
- hs_code
- 29339900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
Chemistry & industry
Applications
Uses5-Amino-2-methoxypyridine is used as a reagent in the synthesis of a novel series of thienopyrimidines as highly potent and selective PI3K inhibitors. 5-Amino-2-methoxypyridine is also used to synthesize EMPA (E521550); a novel high-affinity selective antagonist for the OX2 receptor.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2,533 records
Compound notes
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