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32917-19-4 molecular structure
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cyclohex-1-en-1-ylmethanamine

ChemBase ID: 307655
Molecular Formular: C7H13N
Molecular Mass: 111.18482
Monoisotopic Mass: 111.10479942
SMILES and InChIs

SMILES:
C1(=CCCCC1)CN
Canonical SMILES:
NCC1=CCCCC1
InChI:
InChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5-6,8H2
InChIKey:
AYQJCDBGGILQIZ-UHFFFAOYSA-N

Cite this record

CBID:307655 http://www.chembase.cn/molecule-307655.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclohex-1-en-1-ylmethanamine
IUPAC Traditional name
cyclohex-1-en-1-ylmethanamine
Synonyms
(cyclohex-1-en-1-ylmethyl)amine
CAS Number
32917-19-4
MDL Number
MFCD09838369

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) -1.8400213  LogD (pH = 7.4) -1.0255653 
Log P 1.1611986  Molar Refractivity 36.4368 cm3
Polarizability 14.213848 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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