6-amino-3,4-dihydroquinolin-2(1H)-one

HCID 4912759CAS 22246-13-5

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc2c(c1)CCC(=O)N2
InChIKey: NFWVCYWFUIFIKU-UHFFFAOYSA-N
Molecular formula: C9H10N2O
Average molar mass: 162.19 g/mol
Monoisotopic mass: 162.07931294

Names & identifiers

Preferred name: 6-amino-3,4-dihydroquinolin-2(1H)-one
IUPAC: 6-amino-3,4-dihydro-1H-quinolin-2-one
English name: 6-Amino-3,4-dihydro-1H-quinolin-2-one
Molecular formula: C9H10N2O
Molecular weight: 162.19

Names & synonyms

6-amino-3,4-dihydroquinolin-2(1H)-one22246-13-56-Amino-3,4-dihydro-1H-quinolin-2-oneDTXSID30406718RefChem:540194DTXCID90357570804-849-5MFCD005593186-AMINO-3,4-DIHYDRO-2(1H)-QUINOLINONE2(1H)-Quinolinone, 6-amino-3,4-dihydro-SCHEMBL17545185CS-B1127

Show more names

AKOS BB-98016-amino-3,4-dihydrocarbostyril6-Amino-3,4-dihydroquinolin-2(1H)6-AMino-1,3,4-trihydro-quinolin-2-one6-amino-3,4-dihydro-2(1 )-quinalinone6-Amino-3,4-dihydroquinoline-2(1H)-one6-aMino-3,4-dihydro-2(1H )-quinalinone

6-AMINO-1,2,3,4-TETRAHYDROQUINOLIN-2-ONESTK2717666-amino-3,4-dihydro-quinolin-2-oneNCGC00323573-01SY107209EN300-35705F2189-0268Z285150736

Database identifiers

CAS: 22246-13-5
PubChem CID: 4912759
DTXSID: DTXSID30406718
EC Number: 804-849-5

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 174 · 174-176 °C
Boiling point: 423 · 423.0±45.0 °C(Predicted)
Density: 1.237 · 1.237±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 14.47 · 14.47±0.20(Predicted)
Appearance: Light yellow to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.