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823188-40-5 molecular structure
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[(2-chlorophenyl)methyl](2-methoxyethyl)amine

ChemBase ID: 306815
Molecular Formular: C10H14ClNO
Molecular Mass: 199.67726
Monoisotopic Mass: 199.07639175
SMILES and InChIs

SMILES:
c1(c(Cl)cccc1)CNCCOC
Canonical SMILES:
COCCNCc1ccccc1Cl
InChI:
InChI=1S/C10H14ClNO/c1-13-7-6-12-8-9-4-2-3-5-10(9)11/h2-5,12H,6-8H2,1H3
InChIKey:
ZSUIQDROWOFXRG-UHFFFAOYSA-N

Cite this record

CBID:306815 http://www.chembase.cn/molecule-306815.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-chlorophenyl)methyl](2-methoxyethyl)amine
IUPAC Traditional name
[(2-chlorophenyl)methyl](2-methoxyethyl)amine
Synonyms
(2-chlorobenzyl)(2-methoxyethyl)amine
CAS Number
823188-40-5
MDL Number
MFCD05863672

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.61144984  LogD (pH = 7.4) 1.0980502 
Log P 2.0886638  Molar Refractivity 55.1543 cm3
Polarizability 21.772758 Å3 Polar Surface Area 21.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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