42712-64-1
4-Quinolinol, 2-amino-
Synonyms
- 2-aminoquinolin-4-ol
- 42712-64-1
- 4-Quinolinol, 2-amino-
- 2-Amino-4-hydroxyquinoline
- 2-amino-1H-quinolin-4-one
Molecular Formula
C9H8N2O
Get a free no-obligation quote
We typically respond within 30 minutes during business hours!
Molecular Formula
C9H8N2O
Iupac Name
2-amino-1H-quinolin-4-one
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C=C(N2)N
StdInChi
InChI=1S/C9H8N2O/c10-9-5-8(12)6-3-1-2-4-7(6)11-9/h1-5H,(H3,10,11,12)
StdInChiKey
LWGUCIXHBVVATR-UHFFFAOYSA-N
Molecular Weight
160.17
Exact Mass
160.063662883
Average Mass
160.173 Da
Monoisotopic Mass
160.063662883
Boiling Point
294.1±40.0 °C at 760 mmHg
Experimental Melting Point
298 °C (Decomposes)
Flash Point
131.7±27.3 °C
Density
1.3±0.1 g/cm3
Vapour Pressure
0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization
53.4±3.0 kJ/mol
Refractive Index
1.624
Molar Refractivity
45.1±0.3 cm3
Polar Surface Area
55.1 Ų
Polarizability
17.9±0.5 10-24cm3
Surface Tension
50.1±3.0 dyne/cm
Molar Volume
127.7±3.0 cm3
Experimental Logp
0.301
xLogP3AA
1.1
Acd LogP
1.83
Acd LogD Ph55
1.36
Acd Bcf Ph55
6.34
Acd Koc Ph55
130.18
Acd LogD Ph74
1.36
Acd Bcf Ph74
6.39
Acd Koc Ph74
131.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Heavy Atom Count
12
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently Bonded Unit Count
1
H Bond Acceptors
3
H Bond Donors
3
Freely Rotating Bonds
0
Rule of 5 Violations
0
Formal Charge
0
Complexity
235
Compound is Canonicalized
Yes
Related Article(s)
Ketones: Nomenclature, classification, biochemical significance, applications and toxicityJul 26, 2022
Ketones are a group of organic compounds that have a carbonyl group that is a link between oxygen and carbon. They are present in sugars and pharmaceutical chemicals, like steroid hormones.
Aromatic Heterocycles: Introduction, classification and applicationsJul 20, 2022
An aromatic heterocycle is a type of cyclic compound that has more than just carbon in it. Most heterocyclic molecules have carbon and other elements like nitrogen, oxygen, or sulphur in their structure.
Amines: Synthesis, classification, biochemical significance, applications and hazardsJul 18, 2022
Amines are the compounds that have nitrogen atoms with a lone pair. They are either gaseous when they are at room temperature or vaporized when they are heated quickly. They have a fishy smell at low molecular weight.