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1060817-13-1 molecular structure
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[1-(3,5-dimethylphenyl)cyclopentyl]methanamine

ChemBase ID: 308159
Molecular Formular: C14H21N
Molecular Mass: 203.32324
Monoisotopic Mass: 203.16739968
SMILES and InChIs

SMILES:
c1(C2(CN)CCCC2)cc(cc(c1)C)C
Canonical SMILES:
NCC1(CCCC1)c1cc(C)cc(c1)C
InChI:
InChI=1S/C14H21N/c1-11-7-12(2)9-13(8-11)14(10-15)5-3-4-6-14/h7-9H,3-6,10,15H2,1-2H3
InChIKey:
TYQXXAYOCSKPQM-UHFFFAOYSA-N

Cite this record

CBID:308159 http://www.chembase.cn/molecule-308159.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(3,5-dimethylphenyl)cyclopentyl]methanamine
IUPAC Traditional name
[1-(3,5-dimethylphenyl)cyclopentyl]methanamine
Synonyms
1-[1-(3,5-dimethylphenyl)cyclopentyl]methanamine
CAS Number
1060817-13-1
MDL Number
MFCD11053925

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) 0.595876  LogD (pH = 7.4) 1.541968 
Log P 3.5829034  Molar Refractivity 65.6383 cm3
Polarizability 25.688087 Å3 Polar Surface Area 26.02 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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