3-Chloroquinolin-5-amine

CAT: 0127-OR1045541-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1045541-01Size:100 mg

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CAS Number

873969-81-4

MDL Number

MFCD19690251

Purity

95%

Smiles

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

Chemical Information

3-Chloroquinolin-5-amine

CAS Number	873969-81-4
PubChem CID	20493637
IUPAC Name	3-chloroquinolin-5-amine
Molecular Formula	C9H7ClN2
Molecular Weight	178.62
XLogP	1.8
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=C(C=NC2=C1)Cl)N

InChI

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

InChIKey

ODZQKCOMKPUXMC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 873969-81-4

CID: 20493637

Formula: C9H7ClN2

MW: 178.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.62
XLogP3	1.8
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
TCA05037-01	5-Chloroquinolin-2-amine
HZA37799-01	2-chloroquinolin-5-amine
JH36679	3-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
439613-01	7-Chloroquinolin-4-amine
TNA86874-01	8-Chloroquinolin-2-amine