Cinnolin-5-amine

HCID 387103

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Basic information

CAS: 21905-83-9
Standard SMILES: Nc1cccc2nnccc12
InChIKey: DRQWPSJVDHBHKF-UHFFFAOYSA-N
Molecular formula: C8H7N3
Average molar mass: 145.16 g/mol
Monoisotopic mass: 145.06399724

Names & identifiers

Preferred name: Cinnolin-5-amine
IUPAC: cinnolin-5-amine
English name: Cinnolin-5-aMine
Molecular formula: C8H7N3
Molecular weight: 145.16

Names & synonyms

cinnolin-5-amine21905-83-9DTXSID60327725RefChem:334170DTXCID302788365-aminocinnolineNSC6804945-Cinnolinamine5-Cinnolinylaminecinnoline, 5-amino-SCHEMBL2008421SCHEMBL2008423

Show more names

CHEMBL2004971DRQWPSJVDHBHKF-UHFFFAOYSA-NAKOS006338192NSC-680494NCI60_028703CS-0449647

Database identifiers

CAS: 21905-83-9
PubChem CID: 387103
DTXSID: DTXSID60327725
ChEMBL: CHEMBL2004971

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: 11
Formal charge: 0
Complexity: 137

Physicochemical properties

Melting point: 160 · 160-161 °C(Solv: benzene (71-43-2); cyclohexane (110-82-7))
Boiling point: 351.8 · 351.8±34.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
pka: 3.08 · 3.08±0.10(Predicted)