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118647-00-0 molecular structure
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benzyl[2-(cyclohex-1-en-1-yl)ethyl]amine

ChemBase ID: 311664
Molecular Formular: C15H21N
Molecular Mass: 215.33394
Monoisotopic Mass: 215.16739968
SMILES and InChIs

SMILES:
C1(=CCCCC1)CCNCc1ccccc1
Canonical SMILES:
C1CCC(=CC1)CCNCc1ccccc1
InChI:
InChI=1S/C15H21N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h2,5-7,9-10,16H,1,3-4,8,11-13H2
InChIKey:
RTJNHLXWVAXRBH-UHFFFAOYSA-N

Cite this record

CBID:311664 http://www.chembase.cn/molecule-311664.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl[2-(cyclohex-1-en-1-yl)ethyl]amine
IUPAC Traditional name
benzyl[2-(cyclohex-1-en-1-yl)ethyl]amine
Synonyms
N-benzyl-2-cyclohex-1-en-1-ylethanamine
CAS Number
118647-00-0
MDL Number
MFCD03210652

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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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.39701158  LogD (pH = 7.4) 1.2147077 
Log P 3.6069133  Molar Refractivity 70.579 cm3
Polarizability 27.549952 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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