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39190-98-2 molecular structure
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[(3-chlorophenyl)methyl](propyl)amine

ChemBase ID: 312475
Molecular Formular: C10H14ClN
Molecular Mass: 183.67786
Monoisotopic Mass: 183.08147713
SMILES and InChIs

SMILES:
c1c(Cl)cccc1CNCCC
Canonical SMILES:
CCCNCc1cccc(c1)Cl
InChI:
InChI=1S/C10H14ClN/c1-2-6-12-8-9-4-3-5-10(11)7-9/h3-5,7,12H,2,6,8H2,1H3
InChIKey:
SVGHLUNRWBUQSV-UHFFFAOYSA-N

Cite this record

CBID:312475 http://www.chembase.cn/molecule-312475.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-chlorophenyl)methyl](propyl)amine
IUPAC Traditional name
[(3-chlorophenyl)methyl](propyl)amine
Synonyms
(3-chlorobenzyl)propylamine
CAS Number
39190-98-2
MDL Number
MFCD07407644

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.18479046  LogD (pH = 7.4) 0.73108685 
Log P 3.0149696  Molar Refractivity 53.3834 cm3
Polarizability 21.084509 Å3 Polar Surface Area 12.03 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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