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161012-67-5 molecular structure
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N-butylcycloheptanamine

ChemBase ID: 307903
Molecular Formular: C11H23N
Molecular Mass: 169.30702
Monoisotopic Mass: 169.18304974
SMILES and InChIs

SMILES:
N(C1CCCCCC1)CCCC
Canonical SMILES:
CCCCNC1CCCCCC1
InChI:
InChI=1S/C11H23N/c1-2-3-10-12-11-8-6-4-5-7-9-11/h11-12H,2-10H2,1H3
InChIKey:
UAEMGQGRVOWQKX-UHFFFAOYSA-N

Cite this record

CBID:307903 http://www.chembase.cn/molecule-307903.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-butylcycloheptanamine
IUPAC Traditional name
N-butylcycloheptanamine
Synonyms
N-butylcycloheptanamine
CAS Number
161012-67-5
MDL Number
MFCD08691723

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4024904 external link Add to cart
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) 0.1352118  LogD (pH = 7.4) 0.28975332 
Log P 3.3748598  Molar Refractivity 54.1822 cm3
Polarizability 21.833244 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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