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100155-73-5 molecular structure
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1-(pyridin-2-yl)propan-1-amine

ChemBase ID: 307924
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
n1c(C(N)CC)cccc1
Canonical SMILES:
CCC(c1ccccn1)N
InChI:
InChI=1S/C8H12N2/c1-2-7(9)8-5-3-4-6-10-8/h3-7H,2,9H2,1H3
InChIKey:
ARIBPNACTHQUIK-UHFFFAOYSA-N

Cite this record

CBID:307924 http://www.chembase.cn/molecule-307924.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(pyridin-2-yl)propan-1-amine
IUPAC Traditional name
1-(pyridin-2-yl)propan-1-amine
Synonyms
(1-pyridin-2-ylpropyl)amine
CAS Number
100155-73-5
MDL Number
MFCD09802324

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) -1.7995725  LogD (pH = 7.4) -0.37422568 
Log P 1.0541004  Molar Refractivity 40.8702 cm3
Polarizability 16.497204 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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