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938459-11-1 molecular structure
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N-(3-aminopropyl)pyridin-3-amine

ChemBase ID: 307647
Molecular Formular: C8H13N3
Molecular Mass: 151.20892
Monoisotopic Mass: 151.11094743
SMILES and InChIs

SMILES:
n1cc(NCCCN)ccc1
Canonical SMILES:
NCCCNc1cccnc1
InChI:
InChI=1S/C8H13N3/c9-4-2-6-11-8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6,9H2
InChIKey:
ZQMAVYVCEUHMSB-UHFFFAOYSA-N

Cite this record

CBID:307647 http://www.chembase.cn/molecule-307647.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-aminopropyl)pyridin-3-amine
IUPAC Traditional name
N-(3-aminopropyl)pyridin-3-amine
Synonyms
N-pyridin-3-ylpropane-1,3-diamine
CAS Number
938459-11-1
MDL Number
MFCD09055364

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) -3.8290746  LogD (pH = 7.4) -2.8400366 
Log P -0.50867254  Molar Refractivity 46.9101 cm3
Polarizability 17.62515 Å3 Polar Surface Area 50.94 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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