4-Chloroquinolin-5-amine

CAT: 0127-OR1007031Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1007031Size:1 Each

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CAS Number

1824318-74-2

Purity

97%

Smiles

NC1=C2C(Cl)=CC=NC2=CC=C1

Chemical Information

4-Chloroquinolin-5-amine

CAS Number	1824318-74-2
PubChem CID	71721317
IUPAC Name	4-chloroquinolin-5-amine
Molecular Formula	C9H7ClN2
Molecular Weight	178.62
XLogP	2.1
Topological Polar Surface Area	38.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

C1=CC(=C2C(=C1)N=CC=C2Cl)N

InChI

InChI=1S/C9H7ClN2/c10-6-4-5-12-8-3-1-2-7(11)9(6)8/h1-5H,11H2

InChIKey

ZPOLKEVIUAWSJE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1824318-74-2

CID: 71721317

Formula: C9H7ClN2

MW: 178.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.62
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	178.0297759
Monoisotopic Mass	178.0297759
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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
Compound Is Canonicalized	Yes

Catalog	Name
YJB96981-01	3-chloroquinolin-5-amine
sc-278181A	5-chloroquinolin-8-amine
439613-01	7-Chloroquinolin-4-amine
TCA05037-01	5-Chloroquinolin-2-amine
HZA37799-01	2-chloroquinolin-5-amine
KTB19291-01	4-Chloroquinolin-6-amine
sc-351607A	8-chloroquinolin-5-amine hydrochloride
LLC68950-01	8-Bromo-5-chloroquinolin-2-amine
TDC86373-01	5-Bromo-8-chloroquinolin-2-amine
HY-W039481-01	6-Bromo-2-chloroquinolin-4-amine