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24358-43-8 molecular structure
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1-(3-chlorophenyl)ethan-1-amine

ChemBase ID: 26850
Molecular Formular: C8H10ClN
Molecular Mass: 155.6247
Monoisotopic Mass: 155.05017701
SMILES and InChIs

SMILES:
c1(cc(Cl)ccc1)C(N)C
Canonical SMILES:
Clc1cccc(c1)C(N)C
InChI:
InChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3
InChIKey:
DQEYVZASLGNODG-UHFFFAOYSA-N

Cite this record

CBID:26850 http://www.chembase.cn/molecule-26850.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-chlorophenyl)ethan-1-amine
IUPAC Traditional name
1-(3-chlorophenyl)ethanamine
Synonyms
4-(4-Chlorophenyl)cyclohex-3-ene-1-one Ethylene Ketal
8-(4-Chlorophenyl)-1,4-dioxaspiro[4.5]dec-7-ene
1-(3-Chlorophenyl)-1-ethanamine
1-(3-Chlorophenyl)ethanamine
3-Chloro-α-methylbenzenemethanamine
m-Chloro-α-methylbenzylamine
1-(3-Chlorophenyl)ethylamine
1-(3-Chlorophenyl)ethanamine
CAS Number
24358-43-8
126991-60-4
MDL Number
MFCD05215231
PubChem SID
160990157
PubChem CID
5006170

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.878419  LogD (pH = 7.4) -0.030464618 
Log P 2.119634  Molar Refractivity 43.755 cm3
Polarizability 17.395363 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Apperance
Pale Yellow Solid expand Show data source
Melting Point
178 - 180°C expand Show data source
Hydrophobicity(logP)
2.116 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C378050 external link
1-(3-Chlorophenyl)ethylamine is a chlorinated arylamine used in the preparation of anticonvulsants.

REFERENCES

REFERENCES

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  • • Ho, B. et al.: Eur. J. Med. Chem., 36, 265 (2001)
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PATENTS

PATENTS

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INTERNET

INTERNET

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