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22680-44-0 molecular structure
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(2-chlorophenyl)methanamine hydrochloride

ChemBase ID: 289481
Molecular Formular: C7H9Cl2N
Molecular Mass: 178.05906
Monoisotopic Mass: 177.01120465
SMILES and InChIs

SMILES:
NCc1ccccc1Cl.Cl
Canonical SMILES:
NCc1ccccc1Cl.Cl
InChI:
InChI=1S/C7H8ClN.ClH/c8-7-4-2-1-3-6(7)5-9;/h1-4H,5,9H2;1H
InChIKey:
LXFIZCSCVYTFBU-UHFFFAOYSA-N

Cite this record

CBID:289481 http://www.chembase.cn/molecule-289481.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chlorophenyl)methanamine hydrochloride
IUPAC Traditional name
(2-chlorophenyl)methanamine hydrochloride
Synonyms
(2-Chlorophenyl)methanamine hydrochloride
CAS Number
22680-44-0
PubChem SID
180675012
PubChem CID
18670922

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD222318 Please log in.
Data Source Data ID
PubChem 18670922 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2474346  LogD (pH = 7.4) -0.089628845 
Log P 1.703059  Molar Refractivity 39.3362 cm3
Polarizability 15.556212 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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