2,3-Diamino-6-methoxypyridine

HCID 3023920CAS 28020-38-4

Substructure search Find similar structures

Basic information

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 Å²
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

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (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