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356530-67-1 molecular structure
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N-[(3-methylphenyl)methyl]cyclohexanamine

ChemBase ID: 311641
Molecular Formular: C14H21N
Molecular Mass: 203.32324
Monoisotopic Mass: 203.16739968
SMILES and InChIs

SMILES:
N(Cc1cc(ccc1)C)C1CCCCC1
Canonical SMILES:
Cc1cccc(c1)CNC1CCCCC1
InChI:
InChI=1S/C14H21N/c1-12-6-5-7-13(10-12)11-15-14-8-3-2-4-9-14/h5-7,10,14-15H,2-4,8-9,11H2,1H3
InChIKey:
FFWZPSNFUSWMAH-UHFFFAOYSA-N

Cite this record

CBID:311641 http://www.chembase.cn/molecule-311641.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3-methylphenyl)methyl]cyclohexanamine
IUPAC Traditional name
N-[(3-methylphenyl)methyl]cyclohexanamine
Synonyms
N-(3-methylbenzyl)cyclohexanamine
CAS Number
356530-67-1
MDL Number
MFCD03210637

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) 0.6190389  LogD (pH = 7.4) 1.2174191 
Log P 3.8442867  Molar Refractivity 65.3614 cm3
Polarizability 25.850409 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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