4-Bromoquinolin-8-amine

CAT: 0127-OR86805-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR86805-01Size:100 mg

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CAS Number

1416438-31-7

MDL Number

MFCD22418576

Purity

98%

Smiles

C1=CC2=C(C(=C1)N)N=CC=C2Br

Chemical Information

4-Bromoquinolin-8-amine

CAS Number	1416438-31-7
PubChem CID	71742983
IUPAC Name	4-bromoquinolin-8-amine
Molecular Formula	C9H7BrN2
Molecular Weight	223.07
XLogP	2.4
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=CC2=C(C=CN=C2C(=C1)N)Br

InChI

InChI=1S/C9H7BrN2/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H,11H2

InChIKey

HCYKBCVCZOPWGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1416438-31-7

CID: 71742983

Formula: C9H7BrN2

MW: 223.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.07
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	221.97926
Monoisotopic Mass	221.97926
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
OR1040362-01	7-Bromoquinolin-8-amine
OR1073520-01	8-Bromoquinolin-2-amine
OR73615-01	8-Bromoquinolin-3-amine
OR1044491-01	8-Bromoquinolin-6-amine
OR74971-01	8-Bromoquinolin-5-amine
OR88963-01	8-Bromoquinolin-7-amine
OR76730-01	3-Bromoquinolin-8-amine
OR1011837-01	5-bromoquinolin-8-amine
OR77476-01	2-Bromoquinolin-4-amine
OR451420-01	5-Bromoquinolin-8-amine hydrochloride

Catalog	Name
RGC43831-01	4-bromoquinolin-8-amine
PFA39967-01	3-bromoquinolin-8-amine
FB127216-01	5-Bromoquinolin-8-amine
STB30485-01	8-bromoquinolin-2-amine
JH920236	2-Bromoquinolin-8-amine
XLA76076	5-Bromoquinolin-8-amine hydrochloride
LBA82534-01	4-Bromoquinolin-3-amine
FB179570-01	4-Bromoquinolin-2-amine
RGC44031-01	5-Bromoquinolin-4-amine
440056-01	8-Bromoquinolin-4 (1H) -one