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46459-32-9 molecular structure
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N-[(4-chlorophenyl)methyl]cyclohexanamine

ChemBase ID: 310781
Molecular Formular: C13H18ClN
Molecular Mass: 223.74172
Monoisotopic Mass: 223.11277726
SMILES and InChIs

SMILES:
N(Cc1ccc(Cl)cc1)C1CCCCC1
Canonical SMILES:
Clc1ccc(cc1)CNC1CCCCC1
InChI:
InChI=1S/C13H18ClN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2
InChIKey:
BRAAMEFOGGQBFT-UHFFFAOYSA-N

Cite this record

CBID:310781 http://www.chembase.cn/molecule-310781.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(4-chlorophenyl)methyl]cyclohexanamine
IUPAC Traditional name
N-[(4-chlorophenyl)methyl]cyclohexanamine
Synonyms
(4-chlorobenzyl)cyclohexylamine
CAS Number
46459-32-9
MDL Number
MFCD00716859

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7176203  LogD (pH = 7.4) 1.444364 
Log P 3.9349098  Molar Refractivity 65.125 cm3
Polarizability 25.883522 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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