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41038-69-1 molecular structure
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3-(pyridin-3-yl)propan-1-amine

ChemBase ID: 306711
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
n1cc(CCCN)ccc1
Canonical SMILES:
NCCCc1cccnc1
InChI:
InChI=1S/C8H12N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5,9H2
InChIKey:
CORPZWBVJRCLMW-UHFFFAOYSA-N

Cite this record

CBID:306711 http://www.chembase.cn/molecule-306711.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(pyridin-3-yl)propan-1-amine
IUPAC Traditional name
3-pyridinepropaneamine
Synonyms
3-(3-pyridinyl)-1-propanamine
CAS Number
41038-69-1
MDL Number
MFCD09886637

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6865387  LogD (pH = 7.4) -1.8884594 
Log P 0.6145717  Molar Refractivity 41.7305 cm3
Polarizability 16.420675 Å3 Polar Surface Area 38.91 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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