4-Amino-1,2-dihydroquinolin-2-one

HCID 459666

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 110216-87-0
Standard SMILES: Nc1cc(=O)[nH]c2ccccc12
InChIKey: UGZHBEHGSJQMGC-UHFFFAOYSA-N
Molecular formula: C9H8N2O
Average molar mass: 160.17 g/mol
Monoisotopic mass: 160.06366288

Names & identifiers

Preferred name: 4-Amino-1,2-dihydroquinolin-2-one
IUPAC: 4-amino-1H-quinolin-2-one
English name: 4-Aminoquinoline-2-one
Molecular formula: C9H8N2O
Molecular weight: 160.17

Names & synonyms

4-AMINO-1,2-DIHYDROQUINOLIN-2-ONERefChem:517394861-509-94-AMINOQUINOLINE-2-ONE110216-87-04-aminoquinolin-2-ol4-amino-1H-quinolin-2-one4-AMINOQUINOLIN-2(1H)-ONE2(1H)-Quinolinone, 4-amino-MFCD056656621823281-83-94-Amino-2-hydroxyquinoline

Show more names

Zinc02550723AURORA KA-38864-Amino-2(1H)-quinolinone

4-aminoquinolone4-Aminocarbostyril4-amino quinolinone4-Amino-2-quinolinol4-amino-quinolin-2-ol117891-09-54-Amino-2-quinolinol #Quinolin-2-ol, 4-amino-

Database identifiers

CAS: 110216-87-0
PubChem CID: 459666
DTXSID: DTXSID30332689
EC Number: 861-509-9
Nikkaji: J35.713H

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: 235

Physicochemical properties

Melting point: 315 ℃ · 315℃
Boiling point: 393 ℃ · 393℃
Density: 1.254 · 1.254
Flash point: 191 ℃ · 191℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 11.27 · 11.27±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501