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39191-13-4 molecular structure
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N-propylcycloheptanamine

ChemBase ID: 307902
Molecular Formular: C10H21N
Molecular Mass: 155.28044
Monoisotopic Mass: 155.16739968
SMILES and InChIs

SMILES:
N(C1CCCCCC1)CCC
Canonical SMILES:
CCCNC1CCCCCC1
InChI:
InChI=1S/C10H21N/c1-2-9-11-10-7-5-3-4-6-8-10/h10-11H,2-9H2,1H3
InChIKey:
QHZWWLYWZPCJMN-UHFFFAOYSA-N

Cite this record

CBID:307902 http://www.chembase.cn/molecule-307902.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-propylcycloheptanamine
IUPAC Traditional name
N-propylcycloheptanamine
Synonyms
N-propylcycloheptanamine
CAS Number
39191-13-4
MDL Number
MFCD08691722

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4024903 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) -0.30925998  LogD (pH = 7.4) -0.14945927 
Log P 2.9302912  Molar Refractivity 49.5812 cm3
Polarizability 19.986317 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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