4-Amino-3-bromoquinoline - CAS 36825-36-2

Catalog:	BB023097
Product Name:	4-Amino-3-bromoquinoline
CAS:	36825-36-2
Synonyms:	3-bromo-4-quinolinamine; 3-bromoquinolin-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromoquinolin-4-amine
Description:	4-Amino-3-bromoquinoline (CAS# 36825-36-2) is a useful research intermediate for the preparation of aminoquinolines.
Molecular Weight:	223.07
Molecular Formula:	C9H7BrN2
Canonical SMILES:	C1=CC=C2C(=C1)C(=C(C=N2)Br)N
InChI:	InChI=1S/C9H7BrN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12)
InChI Key:	TYGUEEGQSYNEHB-UHFFFAOYSA-N
Boiling Point:	346.8 ℃ at 760 mmHg
Density:	1.649 g/cm³
MDL:	MFCD00234502
LogP:	3.16070

Publication Number	Title	Priority Date
CN-105461623-A	Synthetic method of 4-amino-6-nitro-3-bromoquinoline	20151229
KR-20180041142-A	Benzodiazepine derivatives as RSV inhibitors	20150722
AU-2016280255-A1	1, 4-substituted piperidine derivatives	20150618
CA-3014554-A1	1,4-substituted piperidine derivatives	20150618
EP-3310441-A1	1, 4-substituted piperidine derivatives	20150618

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.97926
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2