2,3-Diamino-6-methoxypyridine
Basic information
- CAS
28020-38-4- Standard SMILES
COc1ccc(N)c(N)n1- InChIKey
WEPOCTWSRWLQLL-UHFFFAOYSA-N- Molecular formula
- C6H9N3O
- Average molar mass
- 139.16 g/mol
- Monoisotopic mass
- 139.07456192
Names & identifiers
- Preferred name
- 2,3-Diamino-6-methoxypyridine
- IUPAC
- 6-methoxypyridine-2,3-diamine
- English name
- 2,3-Diamino-6-methoxypyridine
- Molecular formula
- C6H9N3O
- Molecular weight
- 139.16
Names & synonyms
6-methoxypyridine-2,3-diamine2,3-Diamino-6-methoxypyridine2,3-Pyridinediamine, 6-methoxy-6-METHOXY-2,3-PYRIDINEDIAMINE6-METHOXY-2,3-DIAMINOPYRIDINEPyridine, 2,3-diamino-6-methoxy-UNII-VGV76K138FVGV76K138FDTXSID80388570RefChem:81544DTXCID00208125858-385-3
Show more names
TENA-0022,3-diamino-6-methoxpyridine2,3-DIAMINO-6-METHOXYPYRIDINE HCL2,3-Diamino-6-methoxypyridine Hydrochlor2,3-DIAMINO-6-METHOXYPYRIDINE HYDROCHLORIDE2,3-Diamino-6-methoxypyridine hydrochloride 98%6-methoxypyridine-2,3-diamine2,3-diamino-6-methoxypyridine6-Methoxy-pyridin-2,3-diamine2,3-diamino-6-methoxy-pyridine
28020-38-4MFCD06658229SCHEMBL126903SCHEMBL294248446-methoxy-pyridine-2,3-diamineWEPOCTWSRWLQLL-UHFFFAOYSA-N6-(Methyloxy)-2,3-pyridinediamineAKOS006282278
Database identifiers
- CAS
28020-38-4- PubChem CID
- 3023920
- DTXSID
DTXSID80388570- UNII
- VGV76K138F
- EC Number
- 858-385-3
- Nikkaji
- J313.756B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Melting point
- 168 · 168-170°C
- Boiling point
- 321.7 · 321.7±37.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 4.55 · 4.55±0.50(Predicted)
- CAS DataBase Reference
- 28020 · 28020-38-4(CAS DataBase Reference)
- FDA UNII
- 76 K138F · VGV76K138F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39-36
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2,3-Diamino-6-methoxypyridine is used as an intermediate in the drug tetrapazole.
Related reactions
19 records
Compound notes
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