4-Aminopyridazine (HCID 298492)

Names & identifiers

Preferred name: 4-Aminopyridazine
IUPAC: pyridazin-4-amine
English name: 4-AMINOPYRIDAZINE
Molecular formula: C4H5N3
Molecular weight: 95.1

Names & synonyms

4-aminopyridazine20744-39-2DTXSID90305399RefChem:518290DTXCID40256529692-025-4pyridazin-4-amine4-Pyridazinaminepyridazin-4-ylamineMFCD00233975Pyridazine, 4-amino-2H2SSX4YHL

Show more names

4-Aminopyridazin4-Pyridazinamine (9CI, ACI)4-aminopyridazine (MFCD00233975)4-AMinopyridazine pyridazin-4-amine4-AMINOPYRIDAZINE ISO 9001：2015 REACHPyridazin-4-amine, 4-Amino-1,2-diazine

NSC-170657pyridazine-4-amineNSC170657pyridazine-4-ylaminepyridazin-4-yl-amineUNII-2H2SSX4YHL4-Aminopyridazine, 97%SCHEMBL164220

Database identifiers

CAS: 20744-39-2
PubChem CID: 298492
DTXSID: DTXSID90305399
UNII: 2H2SSX4YHL
EC Number: 692-025-4
Nikkaji: J83.010K、J845.841C

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 54.9

Experimental & physicochemical properties

LogP-0.53

Physicochemical properties

Melting point: 127 · 127-133°C
Boiling point: 326.2 · 326.2±15.0 °C(Predicted)
Density: 1.216 · 1.216±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
form: solid
pka: 6.38 · 6.38±0.10(Predicted)
color: Light yellow to yellow
InChI: InChI=1S/C4H5N3/c5-4-1-2-6-7-3-4/h1-3H,(H2,5,6)
InChIKey: LUCGBEPEAUHERV-UHFFFAOYSA-N
SMILES: C1=NN=CC=C1N
FDA UNII: 2 H2SSX4YHL · 2H2SSX4YHL
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.2%)

Safety data

wgk: 3
hs_code: 2933998090
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-Pyridazinamine is used to prepare phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition. It is also used to synthesize ATP competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors.