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87364-66-7 molecular structure
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N-(cyclohexylmethyl)cyclohexanamine

ChemBase ID: 311651
Molecular Formular: C13H25N
Molecular Mass: 195.3443
Monoisotopic Mass: 195.19869981
SMILES and InChIs

SMILES:
N(CC1CCCCC1)C1CCCCC1
Canonical SMILES:
C1CCC(CC1)NCC1CCCCC1
InChI:
InChI=1S/C13H25N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h12-14H,1-11H2
InChIKey:
JMXKCMGJNZQWDD-UHFFFAOYSA-N

Cite this record

CBID:311651 http://www.chembase.cn/molecule-311651.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(cyclohexylmethyl)cyclohexanamine
IUPAC Traditional name
N-(cyclohexylmethyl)cyclohexanamine
Synonyms
N-(cyclohexylmethyl)cyclohexanamine
CAS Number
87364-66-7
MDL Number
MFCD03211376

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) 0.4805298  LogD (pH = 7.4) 0.6069847 
Log P 3.7206752  Molar Refractivity 61.4526 cm3
Polarizability 24.784561 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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