6-(Morpholino)pyridin-3-amine

HCID 104059CAS 52023-68-4

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(N2CCOCC2)nc1
InChIKey: VVTSPTCBHTWXMD-UHFFFAOYSA-N
Molecular formula: C9H13N3O
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.10586204

Names & identifiers

Preferred name: 6-(Morpholino)pyridin-3-amine
IUPAC: 6-morpholin-4-ylpyridin-3-amine
English name: 3-Amino-6-morpholinopyridine
Molecular formula: C9H13N3O
Molecular weight: 179.22

Names & synonyms

6-morpholinopyridin-3-amine3-Amino-6-morpholinopyridine6-(Morpholino)pyridin-3-amine3-PYRIDINAMINE, 6-(4-MORPHOLINYL)-6-(4-MORPHOLINYL)-3-PYRIDINAMINEKB19HWM93G4-(5-amino-2-pyridinyl)morpholineEINECS 257-613-3UNII-KB19HWM93GDTXSID101999942-MORPHOLINO-5-AMINOPYRIDINE3-amino-6-(morpholino-4-yl)pyridine

Show more names

AKOS B034244BUTTPARK 99\12-14OTAVA-BB BB70189300386-MORPHOLINO-3-PYRIDINAMINE6-Morpholinopyridine-3-amine6-Morpholinopyridine-3-Amino5-Amino-2-morpholinopyridine6-MORPHOLIN-4-YLPYRIDIN-3-AMINE

2-(MORPHOLINO)PYRIDIN-5-AMINE3-AMINO-6-(MORPHOLIN-4-YL)PYRIDINE(6-(MORPHOLIN-4-YL)PYRIDIN-3-YL)AMINERefChem:104101DTXCID70122485257-613-352023-68-46-(morpholin-4-yl)pyridin-3-amine

Database identifiers

CAS: 52023-68-4
PubChem CID: 104059
DTXSID: DTXSID10199994
UNII: KB19HWM93G
EC Number: 257-613-3
Nikkaji: J279.425J

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 51.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 126 · 126-128°C
Boiling point: 414.4 · 414.4±45.0 °C(Predicted)
Density: 1.208 · 1.208±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 6.48 · 6.48±0.10(Predicted)
Appearance: Brown to black Solid
CAS DataBase Reference: 52023 · 52023-68-4(CAS DataBase Reference)
FDA UNII: 19 HWM93G · KB19HWM93G
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-22
Safety Statements: 22 · 22-36/37/39-36/37
RIDADR: 2811 · 2811
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.