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36825-32-8 molecular structure
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4-bromoquinolin-2-amine

ChemBase ID: 88115
Molecular Formular: C9H7BrN2
Molecular Mass: 223.06928
Monoisotopic Mass: 221.97926023
SMILES and InChIs

SMILES:
n1c2c(c(cc1N)Br)cccc2
Canonical SMILES:
Nc1cc(Br)c2c(n1)cccc2
InChI:
InChI=1S/C9H7BrN2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,(H2,11,12)
InChIKey:
KEYPUSCLNYKXET-UHFFFAOYSA-N

Cite this record

CBID:88115 http://www.chembase.cn/molecule-88115.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromoquinolin-2-amine
IUPAC Traditional name
4-bromoquinolin-2-amine
Synonyms
4-Bromoquinolin-2-amine
2-Amino-4-bromoquinoline
CAS Number
36825-32-8
PubChem SID
162075154
PubChem CID
14067419

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR40009 external link Add to cart Please log in.
Data Source Data ID
PubChem 14067419 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5420437  LogD (pH = 7.4) 2.6633875 
Log P 2.6651847  Molar Refractivity 52.616 cm3
Polarizability 20.766356 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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