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1196154-21-8 molecular structure
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7-chloroisoquinolin-1-amine

ChemBase ID: 815722
Molecular Formular: C9H7ClN2
Molecular Mass: 178.61828
Monoisotopic Mass: 178.02977591
SMILES and InChIs

SMILES:
c1(cc2c(cc1)ccnc2N)Cl
Canonical SMILES:
Clc1ccc2c(c1)c(N)ncc2
InChI:
InChI=1S/C9H7ClN2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H,(H2,11,12)
InChIKey:
DFEHRRKQQUUOEG-UHFFFAOYSA-N

Cite this record

CBID:815722 http://www.chembase.cn/molecule-815722.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloroisoquinolin-1-amine
IUPAC Traditional name
7-chloroisoquinolin-1-amine
Synonyms
7-chloroisoquinolin-1-amine
CAS Number
1196154-21-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38122 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38122 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3953327  LogD (pH = 7.4) 2.0884817 
Log P 2.1146264  Molar Refractivity 50.17 cm3
Polarizability 19.941814 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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