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4492-51-7 molecular structure
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(cyclopentylmethyl)(methyl)amine

ChemBase ID: 309671
Molecular Formular: C7H15N
Molecular Mass: 113.2007
Monoisotopic Mass: 113.12044949
SMILES and InChIs

SMILES:
N(CC1CCCC1)C
Canonical SMILES:
CNCC1CCCC1
InChI:
InChI=1S/C7H15N/c1-8-6-7-4-2-3-5-7/h7-8H,2-6H2,1H3
InChIKey:
XLXBMMXDVLSNGN-UHFFFAOYSA-N

Cite this record

CBID:309671 http://www.chembase.cn/molecule-309671.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(cyclopentylmethyl)(methyl)amine
IUPAC Traditional name
(cyclopentylmethyl)(methyl)amine
Synonyms
(cyclopentylmethyl)methylamine
CAS Number
4492-51-7
MDL Number
MFCD11212401

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) -1.7600617  LogD (pH = 7.4) -1.4768975 
Log P 1.4768361  Molar Refractivity 35.8374 cm3
Polarizability 14.445701 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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